(2S)-N-butyl-N-phenylpiperidine-2-carboxamide

C16H24N2O — CID 104914056

IUPAC(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
SMILESCCCCN(C(=O)[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-13-18(14-9-5-4-6-10-14)16(19)15-11-7-8-12-17-15/h4-6,9-10,15,17H,2-3,7-8,11-13H2,1H3/t15-/m0/s1
InChIKeyLYWJNVCXBWCSME-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds5

About (2S)-N-butyl-N-phenylpiperidine-2-carboxamide

(2S)-N-butyl-N-phenylpiperidine-2-carboxamide (PubChem CID 104914056) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-N-butyl-N-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
PubChem CID104914056
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
SMILESCCCCN(C(=O)[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-3-13-18(14-9-5-4-6-10-14)16(19)15-11-7-8-12-17-15/h4-6,9-10,15,17H,2-3,7-8,11-13H2,1H3/t15-/m0/s1
InChIKeyLYWJNVCXBWCSME-HNNXBMFYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
N-butyl-N-phenyl-2-piperidin-2-ylacetamide
CID 64584615
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273
(2S)-N-butyl-N-cyclopropylpiperidine-2-carboxamide
CID 104913351
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-N-phenylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-butyl-N-phenylpiperidine-2-carboxamide (CID 104914056) is (2S)-N-butyl-N-phenylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-butyl-N-phenylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-butyl-N-phenylpiperidine-2-carboxamide is CCCCN(C(=O)[C@@H]1CCCCN1)c1ccccc1.
What is the InChIKey of (2S)-N-butyl-N-phenylpiperidine-2-carboxamide?
The InChIKey is LYWJNVCXBWCSME-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-13-18(14-9-5-4-6-10-14)16(19)15-11-7-8-12-17-15/h4-6,9-10,15,17H,2-3,7-8,11-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-N-butyl-N-phenylpiperidine-2-carboxamide?
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-N-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 104914056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).