4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one

C85H163N15O12 — CID 162221721

IUPAC4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)C2CC1CN2.CC(C)N1CCC(C)(C)CC1=O.CC(C)N1CCC(C)(O)CC1=O.CC(C)N1CCCC(=O)C1C.CC(C)N1CCNC(=O)C1C.CC(C)N1CCNC(=O)C1CO.CC(C)N1CCNCC1=O.CC(C)N1CCNCCC1=O.CC1CCCN(C(C)C)C1=O.CC1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C10H19NO.C9H17NO2.3C9H17NO.C8H16N2O2.C8H14N2O.2C8H16N2O.C7H14N2O/c1-8(2)11-6-5-10(3,4)7-9(11)12;1-7(2)10-5-4-9(3,12)6-8(10)11;1-7(2)10-5-4-8(3)6-9(10)11;1-7(2)10-6-4-5-9(11)8(10)3;1-7(2)10-6-4-5-8(3)9(10)11;1-6(2)10-4-3-9-8(12)7(10)5-11;1-5(2)10-6-3-7(8(10)11)9-4-6;1-6(2)10-5-4-9-8(11)7(10)3;1-7(2)10-6-5-9-4-3-8(10)11;1-6(2)9-4-3-8-5-7(9)10/h8H,5-7H2,1-4H3;7,12H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;6-7,11H,3-5H2,1-2H3,(H,9,12);5-7,9H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,11);7,9H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3
InChIKeyZUFDNLJPKFEBQC-UHFFFAOYSA-N
MW1587.33 g/mol
LogP6.98
Rot. Bonds11

About 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one

4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one (PubChem CID 162221721) has the molecular formula C85H163N15O12 and a molecular weight of 1587.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one
PubChem CID162221721
Molecular FormulaC85H163N15O12
Molecular Weight1587.33 g/mol
Exact Mass1586.26
IUPAC Name4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1C(=O)C2CC1CN2.CC(C)N1CCC(C)(C)CC1=O.CC(C)N1CCC(C)(O)CC1=O.CC(C)N1CCCC(=O)C1C.CC(C)N1CCNC(=O)C1C.CC(C)N1CCNC(=O)C1CO.CC(C)N1CCNCC1=O.CC(C)N1CCNCCC1=O.CC1CCCN(C(C)C)C1=O.CC1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C10H19NO.C9H17NO2.3C9H17NO.C8H16N2O2.C8H14N2O.2C8H16N2O.C7H14N2O/c1-8(2)11-6-5-10(3,4)7-9(11)12;1-7(2)10-5-4-9(3,12)6-8(10)11;1-7(2)10-5-4-8(3)6-9(10)11;1-7(2)10-6-4-5-9(11)8(10)3;1-7(2)10-6-4-5-8(3)9(10)11;1-6(2)10-4-3-9-8(12)7(10)5-11;1-5(2)10-6-3-7(8(10)11)9-4-6;1-6(2)10-5-4-9-8(11)7(10)3;1-7(2)10-6-5-9-4-3-8(10)11;1-6(2)9-4-3-8-5-7(9)10/h8H,5-7H2,1-4H3;7,12H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;6-7,11H,3-5H2,1-2H3,(H,9,12);5-7,9H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,11);7,9H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3
InChIKeyZUFDNLJPKFEBQC-UHFFFAOYSA-N
XLogP6.98
TPSA303.71 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001587.33
LogP ≤ 56.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol;methane
CID 157132450
6-(dimethylamino)-2-methylhexan-3-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;4-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 158441117
1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)ethanol;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158659065
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-2-one;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-3-carboxamide;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;2-(1-propan-2-ylpiperidin-4-yl)ethanamine;(1-propan-2-ylpiperidin-3-yl)methanamine;(1-propan-2-ylpiperidin-4-yl)methanamine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 158687484
CID 158770510
CID 158770510
6-(dimethylamino)-2-methylhexan-3-one;1,4-dimethylpiperazine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;ethane;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;4-methylpiperidine;1-methylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-4-pyrrolidin-1-ylpiperidine
CID 158918509
1-tert-butyl-4-methylpiperazine;4-tert-butylpiperidine;1-tert-butylpiperidin-4-ol;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;6-(dimethylamino)-2-methylhexan-3-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 159285266
bis(1-(1,4-dimethylpiperazin-2-yl)ethanone);(1,4-dimethylpiperazin-2-yl)methanol;1-(1,4-dimethylpiperazin-2-yl)propan-1-one;(1,4-dimethylpiperazin-2-yl)-pyrrolidin-1-ylmethanone;N,1-dimethylpiperidine-4-carboxamide;bis(1-(1-methylpiperazin-2-yl)ethanone);(1-methylpiperazin-2-yl)methanol;1-(1-methylpiperazin-2-yl)propan-1-one;(1-methylpiperazin-2-yl)-pyrrolidin-1-ylmethanone;(1-methylpiperidin-4-yl)methanol;(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone;N,N,1,4-tetramethylpiperazine-2-carboxamide;N,N,1-trimethylpiperazine-2-carboxamide;N,N,1-trimethylpiperidine-4-carboxamide
CID 160375709
1-Ethyl-1,8-diazaspiro[4.5]decan-4-one;2-ethyl-2,8-diazaspiro[4.5]decan-1-one;1-ethyl-2-methylpiperazine;1-ethylpiperazine;4-ethylpiperidine;4-ethylpiperidin-4-ol
CID 160408297

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one (CID 162221721) is 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one is CC(C)N1C(=O)C2CC1CN2.CC(C)N1CCC(C)(C)CC1=O.CC(C)N1CCC(C)(O)CC1=O.CC(C)N1CCCC(=O)C1C.CC(C)N1CCNC(=O)C1C.CC(C)N1CCNC(=O)C1CO.CC(C)N1CCNCC1=O.CC(C)N1CCNCCC1=O.CC1CCCN(C(C)C)C1=O.CC1CCN(C(C)C)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one?
The InChIKey is ZUFDNLJPKFEBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H17NO2.3C9H17NO.C8H16N2O2.C8H14N2O.2C8H16N2O.C7H14N2O/c1-8(2)11-6-5-10(3,4)7-9(11)12;1-7(2)10-5-4-9(3,12)6-8(10)11;1-7(2)10-5-4-8(3)6-9(10)11;1-7(2)10-6-4-5-9(11)8(10)3;1-7(2)10-6-4-5-8(3)9(10)11;1-6(2)10-4-3-9-8(12)7(10)5-11;1-5(2)10-6-3-7(8(10)11)9-4-6;1-6(2)10-5-4-9-8(11)7(10)3;1-7(2)10-6-5-9-4-3-8(10)11;1-6(2)9-4-3-8-5-7(9)10/h8H,5-7H2,1-4H3;7,12H,4-6H2,1-3H3;3*7-8H,4-6H2,1-3H3;6-7,11H,3-5H2,1-2H3,(H,9,12);5-7,9H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,11);7,9H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one?
4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one has a molecular weight of 1587.33 g/mol, XLogP of 6.98, 11 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylpiperidin-2-one;3-(hydroxymethyl)-4-propan-2-ylpiperazin-2-one;4-hydroxy-4-methyl-1-propan-2-ylpiperidin-2-one;3-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidin-3-one;3-methyl-1-propan-2-ylpiperidin-2-one;4-methyl-1-propan-2-ylpiperidin-2-one;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-3-one;4-propan-2-yl-1,4-diazepan-5-one;1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 162221721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).