1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone

C166H327N31O22 — CID 160865899

IUPAC1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(C(C)C)C1.CC(=O)C1CN(C(C)C)CCN1.CC(=O)C1CN(C(C)C)CCN1C.CC(=O)C1CN(C(C)C)CCO1.CC(=O)C1CNCCN1C(C)C.CC(=O)[C@@H]1CCCN(C(C)C)C1.CC(=O)[C@@H]1CN(C(C)C)CCN1.CC(=O)[C@@H]1CN(C(C)C)CCN1C.CC(=O)[C@@H]1CN(C(C)C)CCO1.CC(=O)[C@@H]1CNCCN1C(C)C.CC(=O)[C@H]1CCCN(C(C)C)C1.CC(=O)[C@H]1CN(C(C)C)CCN1.CC(=O)[C@H]1CN(C(C)C)CCN1C.CC(=O)[C@H]1CN(C(C)C)CCO1.CC(=O)[C@H]1CNCCN1C(C)C.CC(=O)[C@H]1CNCCN1C(C)C.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O
InChIInChI=1S/3C10H20N2O.3C10H19NO.7C9H18N2O.3C9H17NO2.C8H17N3O.C8H16N2O2/c3*1-8(2)12-6-5-11(4)10(7-12)9(3)13;3*1-8(2)11-6-4-5-10(7-11)9(3)12;3*1-7(2)11-5-4-10-9(6-11)8(3)12;4*1-7(2)11-5-4-10-6-9(11)8(3)12;3*1-7(2)10-4-5-12-9(6-10)8(3)11;1-6(2)11-4-3-10-5-7(11)8(9)12;1-6(2)10-3-4-12-5-7(10)8(9)11/h3*8,10H,5-7H2,1-4H3;3*8,10H,4-7H2,1-3H3;7*7,9-10H,4-6H2,1-3H3;3*7,9H,4-6H2,1-3H3;6-7,10H,3-5H2,1-2H3,(H2,9,12);6-7H,3-5H2,1-2H3,(H2,9,11)/t2*10-;;2*10-;;2*9-;;3*9-;;2*9-;;;7-/m10.10.10.110.10..0/s1
InChIKeySLCPAAPUCPRKAX-BSUDYBFRSA-N
MW3109.64 g/mol
LogP9.48
Rot. Bonds36

About 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone

1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone (PubChem CID 160865899) has the molecular formula C166H327N31O22 and a molecular weight of 3109.64 g/mol. Its IUPAC name is 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
PubChem CID160865899
Molecular FormulaC166H327N31O22
Molecular Weight3109.64 g/mol
Exact Mass3107.54
IUPAC Name1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(C(C)C)C1.CC(=O)C1CN(C(C)C)CCN1.CC(=O)C1CN(C(C)C)CCN1C.CC(=O)C1CN(C(C)C)CCO1.CC(=O)C1CNCCN1C(C)C.CC(=O)[C@@H]1CCCN(C(C)C)C1.CC(=O)[C@@H]1CN(C(C)C)CCN1.CC(=O)[C@@H]1CN(C(C)C)CCN1C.CC(=O)[C@@H]1CN(C(C)C)CCO1.CC(=O)[C@@H]1CNCCN1C(C)C.CC(=O)[C@H]1CCCN(C(C)C)C1.CC(=O)[C@H]1CN(C(C)C)CCN1.CC(=O)[C@H]1CN(C(C)C)CCN1C.CC(=O)[C@H]1CN(C(C)C)CCO1.CC(=O)[C@H]1CNCCN1C(C)C.CC(=O)[C@H]1CNCCN1C(C)C.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O
InChIInChI=1S/3C10H20N2O.3C10H19NO.7C9H18N2O.3C9H17NO2.C8H17N3O.C8H16N2O2/c3*1-8(2)12-6-5-11(4)10(7-12)9(3)13;3*1-8(2)11-6-4-5-10(7-11)9(3)12;3*1-7(2)11-5-4-10-9(6-11)8(3)12;4*1-7(2)11-5-4-10-6-9(11)8(3)12;3*1-7(2)10-4-5-12-9(6-10)8(3)11;1-6(2)11-4-3-10-5-7(11)8(9)12;1-6(2)10-3-4-12-5-7(10)8(9)11/h3*8,10H,5-7H2,1-4H3;3*8,10H,4-7H2,1-3H3;7*7,9-10H,4-6H2,1-3H3;3*7,9H,4-6H2,1-3H3;6-7,10H,3-5H2,1-2H3,(H2,9,12);6-7H,3-5H2,1-2H3,(H2,9,11)/t2*10-;;2*10-;;2*9-;;3*9-;;2*9-;;;7-/m10.10.10.110.10..0/s1
InChIKeySLCPAAPUCPRKAX-BSUDYBFRSA-N
XLogP9.48
TPSA560.50 Ų
H-Bond Donors10
H-Bond Acceptors51
Rotatable Bonds36
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003109.64
LogP ≤ 59.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1051

Analyze 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(3S)-4-propan-2-ylmorpholin-3-yl]ethanone;1-[(3R)-4-propan-2-ylmorpholin-3-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-(4-propan-2-ylmorpholin-3-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
CID 157984336
1-methyl-4-propan-2-ylpiperazine-2-carboxamide;(2R)-1-methyl-4-propan-2-ylpiperazine-2-carboxamide;(2S)-1-methyl-4-propan-2-ylpiperazine-2-carboxamide;(2R)-4-propan-2-ylmorpholine-2-carboxamide;(2S)-4-propan-2-ylmorpholine-2-carboxamide;(3S)-4-propan-2-ylmorpholine-3-carboxamide;(3R)-4-propan-2-ylmorpholine-3-carboxamide;4-propan-2-ylmorpholine-2-carboxamide;4-propan-2-ylmorpholine-3-carboxamide;1-propan-2-ylpiperazine-2-carboxamide;(2R)-1-propan-2-ylpiperazine-2-carboxamide;(2S)-1-propan-2-ylpiperazine-2-carboxamide;(2R)-4-propan-2-ylpiperazine-2-carboxamide;(2S)-4-propan-2-ylpiperazine-2-carboxamide;4-propan-2-ylpiperazine-2-carboxamide;1-propan-2-ylpiperidine-3-carboxamide;(3R)-1-propan-2-ylpiperidine-3-carboxamide;(3S)-1-propan-2-ylpiperidine-3-carboxamide
CID 158363184
CID 158770510
CID 158770510
(1-Methylpiperidin-3-yl)-(2-propan-2-ylmorpholin-4-yl)methanone;2-piperidin-4-yl-1-(2-propan-2-ylmorpholin-4-yl)ethanone;piperidin-2-yl-(2-propan-2-ylmorpholin-4-yl)methanone;piperidin-3-yl-(2-propan-2-ylmorpholin-4-yl)methanone
CID 162206079

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The IUPAC name of 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone (CID 160865899) is 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone is CC(=O)C1CCCN(C(C)C)C1.CC(=O)C1CN(C(C)C)CCN1.CC(=O)C1CN(C(C)C)CCN1C.CC(=O)C1CN(C(C)C)CCO1.CC(=O)C1CNCCN1C(C)C.CC(=O)[C@@H]1CCCN(C(C)C)C1.CC(=O)[C@@H]1CN(C(C)C)CCN1.CC(=O)[C@@H]1CN(C(C)C)CCN1C.CC(=O)[C@@H]1CN(C(C)C)CCO1.CC(=O)[C@@H]1CNCCN1C(C)C.CC(=O)[C@H]1CCCN(C(C)C)C1.CC(=O)[C@H]1CN(C(C)C)CCN1.CC(=O)[C@H]1CN(C(C)C)CCN1C.CC(=O)[C@H]1CN(C(C)C)CCO1.CC(=O)[C@H]1CNCCN1C(C)C.CC(=O)[C@H]1CNCCN1C(C)C.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O.
What is the InChIKey of 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The InChIKey is SLCPAAPUCPRKAX-BSUDYBFRSA-N. The full InChI is InChI=1S/3C10H20N2O.3C10H19NO.7C9H18N2O.3C9H17NO2.C8H17N3O.C8H16N2O2/c3*1-8(2)12-6-5-11(4)10(7-12)9(3)13;3*1-8(2)11-6-4-5-10(7-11)9(3)12;3*1-7(2)11-5-4-10-9(6-11)8(3)12;4*1-7(2)11-5-4-10-6-9(11)8(3)12;3*1-7(2)10-4-5-12-9(6-10)8(3)11;1-6(2)11-4-3-10-5-7(11)8(9)12;1-6(2)10-3-4-12-5-7(10)8(9)11/h3*8,10H,5-7H2,1-4H3;3*8,10H,4-7H2,1-3H3;7*7,9-10H,4-6H2,1-3H3;3*7,9H,4-6H2,1-3H3;6-7,10H,3-5H2,1-2H3,(H2,9,12);6-7H,3-5H2,1-2H3,(H2,9,11)/t2*10-;;2*10-;;2*9-;;3*9-;;2*9-;;;7-/m10.10.10.110.10..0/s1.
What are the key properties of 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone has a molecular weight of 3109.64 g/mol, XLogP of 9.48, 36 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;(3S)-4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;1-(1-propan-2-ylpiperazin-2-yl)ethanone;bis(1-[(2R)-1-propan-2-ylpiperazin-2-yl]ethanone);1-[(2S)-1-propan-2-ylpiperazin-2-yl]ethanone;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone is sourced from PubChem (CID 160865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).