4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide

C16H22N2O2 — CID 54765874

IUPAC4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
SMILESCCCCc1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-2-3-5-12-7-9-13(10-8-12)15(19)18-14-6-4-11-17-16(14)20/h7-10,14H,2-6,11H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyXTAILMXQHPSUEU-CQSZACIVSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds5

About 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide

4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide (PubChem CID 54765874) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
PubChem CID54765874
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
SMILESCCCCc1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-2-3-5-12-7-9-13(10-8-12)15(19)18-14-6-4-11-17-16(14)20/h7-10,14H,2-6,11H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyXTAILMXQHPSUEU-CQSZACIVSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
N-[(3S)-2-oxopiperidin-3-yl]-4-(3-oxo-5-propyl-1H-pyrazol-2-yl)benzamide
CID 125441871
4-butyl-N-cyclopentylbenzamide
CID 60674795
4-(3-hydroxy-3-methylbutyl)-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide
CID 95886609
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690
(3R)-3-[2-(4-octylphenyl)-2-oxoethyl]piperidin-2-one
CID 160867179
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103860544
4-butyl-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103774443
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide (CID 54765874) is 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide is CCCCc1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1.
What is the InChIKey of 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is XTAILMXQHPSUEU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-3-5-12-7-9-13(10-8-12)15(19)18-14-6-4-11-17-16(14)20/h7-10,14H,2-6,11H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide?
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 54765874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).