1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide

C13H24N2O3 — CID 64558362

IUPAC1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O3/c1-4-13(3,9-16)14-12(18)11-6-5-7-15(8-11)10(2)17/h11,16H,4-9H2,1-3H3,(H,14,18)
InChIKeyYNXIRHLXYCCPTM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds4

About 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide

1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 64558362) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide
PubChem CID64558362
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O3/c1-4-13(3,9-16)14-12(18)11-6-5-7-15(8-11)10(2)17/h11,16H,4-9H2,1-3H3,(H,14,18)
InChIKeyYNXIRHLXYCCPTM-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
2-[(1-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978846
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
1-acetylpiperidine-3-carboxylic acid
CID 14043896
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide (CID 64558362) is 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide is CCC(C)(CO)NC(=O)C1CCCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is YNXIRHLXYCCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(3,9-16)14-12(18)11-6-5-7-15(8-11)10(2)17/h11,16H,4-9H2,1-3H3,(H,14,18).
What are the key properties of 1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide?
1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.52, 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-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 64558362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).