1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide

C16H28N2O3 — CID 115701327

IUPAC1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC2(CO)CCCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-13(20)18-9-5-6-14(10-18)15(21)17-11-16(12-19)7-3-2-4-8-16/h14,19H,2-12H2,1H3,(H,17,21)
InChIKeyKTWDBKSXGVEANQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds4

About 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide

1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide (PubChem CID 115701327) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
PubChem CID115701327
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC2(CO)CCCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-13(20)18-9-5-6-14(10-18)15(21)17-11-16(12-19)7-3-2-4-8-16/h14,19H,2-12H2,1H3,(H,17,21)
InChIKeyKTWDBKSXGVEANQ-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
2-[2-[(1-acetylpiperidine-3-carbonyl)amino]ethoxy]acetic acid
CID 79457879
3-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 114751024
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
1-acetyl-N-[1-(aminomethyl)cyclopentyl]piperidine-3-carboxamide
CID 119565447
(2S)-4-[(1-acetylpiperidine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834670
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide (CID 115701327) is 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCC2(CO)CCCCC2)C1.
What is the InChIKey of 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide?
The InChIKey is KTWDBKSXGVEANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(20)18-9-5-6-14(10-18)15(21)17-11-16(12-19)7-3-2-4-8-16/h14,19H,2-12H2,1H3,(H,17,21).
What are the key properties of 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide?
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 115701327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).