1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide

C12H22N2O3 — CID 43418422

IUPAC1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C12H22N2O3/c1-3-11(8-15)13-12(17)10-5-4-6-14(7-10)9(2)16/h10-11,15H,3-8H2,1-2H3,(H,13,17)
InChIKeyPEZJOJPTKQORCN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds4

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

1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide (PubChem CID 43418422) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
PubChem CID43418422
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCCN(C(C)=O)C1
InChIInChI=1S/C12H22N2O3/c1-3-11(8-15)13-12(17)10-5-4-6-14(7-10)9(2)16/h10-11,15H,3-8H2,1-2H3,(H,13,17)
InChIKeyPEZJOJPTKQORCN-UHFFFAOYSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
(2R)-2-[(1-acetylpiperidine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80748785
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
1-acetyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 103801448
(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
CID 97316640
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
1-acetyl-N-(1-hydroxy-2-methylbutan-2-yl)piperidine-3-carboxamide
CID 64558362
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide (CID 43418422) is 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide is CCC(CO)NC(=O)C1CCCN(C(C)=O)C1.
What is the InChIKey of 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide?
The InChIKey is PEZJOJPTKQORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-11(8-15)13-12(17)10-5-4-6-14(7-10)9(2)16/h10-11,15H,3-8H2,1-2H3,(H,13,17).
What are the key properties of 1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide?
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 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-hydroxybutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43418422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).