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

C150H309N45O24 — CID 158363184

IUPAC1-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
SMILESCC(C)N1CCCC(C(N)=O)C1.CC(C)N1CCC[C@@H](C(N)=O)C1.CC(C)N1CCC[C@H](C(N)=O)C1.CC(C)N1CCN(C)C(C(N)=O)C1.CC(C)N1CCN(C)[C@@H](C(N)=O)C1.CC(C)N1CCN(C)[C@H](C(N)=O)C1.CC(C)N1CCNC(C(N)=O)C1.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCNC[C@@H]1C(N)=O.CC(C)N1CCNC[C@H]1C(N)=O.CC(C)N1CCN[C@@H](C(N)=O)C1.CC(C)N1CCN[C@H](C(N)=O)C1.CC(C)N1CCOC(C(N)=O)C1.CC(C)N1CCOCC1C(N)=O.CC(C)N1CCOC[C@@H]1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O.CC(C)N1CCO[C@@H](C(N)=O)C1.CC(C)N1CCO[C@H](C(N)=O)C1
InChIInChI=1S/3C9H19N3O.3C9H18N2O.6C8H17N3O.6C8H16N2O2/c3*1-7(2)12-5-4-11(3)8(6-12)9(10)13;3*1-7(2)11-5-3-4-8(6-11)9(10)12;3*1-6(2)11-4-3-10-7(5-11)8(9)12;3*1-6(2)11-4-3-10-5-7(11)8(9)12;3*1-6(2)10-3-4-12-5-7(10)8(9)11;3*1-6(2)10-3-4-12-7(5-10)8(9)11/h3*7-8H,4-6H2,1-3H3,(H2,10,13);3*7-8H,3-6H2,1-2H3,(H2,10,12);6*6-7,10H,3-5H2,1-2H3,(H2,9,12);6*6-7H,3-5H2,1-2H3,(H2,9,11)/t2*8-;;2*8-;;2*7-;;2*7-;;2*7-;;2*7-;/m10.10.10.10.10.10./s1
InChIKeyGTSGYPWJWZKTOB-VEHIZCHXSA-N
MW3127.41 g/mol
LogP-7.33
Rot. Bonds36

About 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

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 (PubChem CID 158363184) has the molecular formula C150H309N45O24 and a molecular weight of 3127.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158363184
Molecular FormulaC150H309N45O24
Molecular Weight3127.41 g/mol
Exact Mass3125.43
IUPAC Name1-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
SMILESCC(C)N1CCCC(C(N)=O)C1.CC(C)N1CCC[C@@H](C(N)=O)C1.CC(C)N1CCC[C@H](C(N)=O)C1.CC(C)N1CCN(C)C(C(N)=O)C1.CC(C)N1CCN(C)[C@@H](C(N)=O)C1.CC(C)N1CCN(C)[C@H](C(N)=O)C1.CC(C)N1CCNC(C(N)=O)C1.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCNC[C@@H]1C(N)=O.CC(C)N1CCNC[C@H]1C(N)=O.CC(C)N1CCN[C@@H](C(N)=O)C1.CC(C)N1CCN[C@H](C(N)=O)C1.CC(C)N1CCOC(C(N)=O)C1.CC(C)N1CCOCC1C(N)=O.CC(C)N1CCOC[C@@H]1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O.CC(C)N1CCO[C@@H](C(N)=O)C1.CC(C)N1CCO[C@H](C(N)=O)C1
InChIInChI=1S/3C9H19N3O.3C9H18N2O.6C8H17N3O.6C8H16N2O2/c3*1-7(2)12-5-4-11(3)8(6-12)9(10)13;3*1-7(2)11-5-3-4-8(6-11)9(10)12;3*1-6(2)11-4-3-10-7(5-11)8(9)12;3*1-6(2)11-4-3-10-5-7(11)8(9)12;3*1-6(2)10-3-4-12-5-7(10)8(9)11;3*1-6(2)10-3-4-12-7(5-10)8(9)11/h3*7-8H,4-6H2,1-3H3,(H2,10,13);3*7-8H,3-6H2,1-2H3,(H2,10,12);6*6-7,10H,3-5H2,1-2H3,(H2,9,12);6*6-7H,3-5H2,1-2H3,(H2,9,11)/t2*8-;;2*8-;;2*7-;;2*7-;;2*7-;;2*7-;/m10.10.10.10.10.10./s1
InChIKeyGTSGYPWJWZKTOB-VEHIZCHXSA-N
XLogP-7.33
TPSA971.22 Ų
H-Bond Donors24
H-Bond Acceptors51
Rotatable Bonds36
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003127.41
LogP ≤ 5-7.33
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1051

Analyze 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 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
CID 158770510
CID 158770510
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
(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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCCC(C(N)=O)C1.CC(C)N1CCC[C@@H](C(N)=O)C1.CC(C)N1CCC[C@H](C(N)=O)C1.CC(C)N1CCN(C)C(C(N)=O)C1.CC(C)N1CCN(C)[C@@H](C(N)=O)C1.CC(C)N1CCN(C)[C@H](C(N)=O)C1.CC(C)N1CCNC(C(N)=O)C1.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCNC[C@@H]1C(N)=O.CC(C)N1CCNC[C@H]1C(N)=O.CC(C)N1CCN[C@@H](C(N)=O)C1.CC(C)N1CCN[C@H](C(N)=O)C1.CC(C)N1CCOC(C(N)=O)C1.CC(C)N1CCOCC1C(N)=O.CC(C)N1CCOC[C@@H]1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O.CC(C)N1CCO[C@@H](C(N)=O)C1.CC(C)N1CCO[C@H](C(N)=O)C1.
What is the InChIKey of 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?
The InChIKey is GTSGYPWJWZKTOB-VEHIZCHXSA-N. The full InChI is InChI=1S/3C9H19N3O.3C9H18N2O.6C8H17N3O.6C8H16N2O2/c3*1-7(2)12-5-4-11(3)8(6-12)9(10)13;3*1-7(2)11-5-3-4-8(6-11)9(10)12;3*1-6(2)11-4-3-10-7(5-11)8(9)12;3*1-6(2)11-4-3-10-5-7(11)8(9)12;3*1-6(2)10-3-4-12-5-7(10)8(9)11;3*1-6(2)10-3-4-12-7(5-10)8(9)11/h3*7-8H,4-6H2,1-3H3,(H2,10,13);3*7-8H,3-6H2,1-2H3,(H2,10,12);6*6-7,10H,3-5H2,1-2H3,(H2,9,12);6*6-7H,3-5H2,1-2H3,(H2,9,11)/t2*8-;;2*8-;;2*7-;;2*7-;;2*7-;;2*7-;/m10.10.10.10.10.10./s1.
What are the key properties of 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?
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 has a molecular weight of 3127.41 g/mol, XLogP of -7.33, 36 rotatable bonds, 24 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158363184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).