(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide

C16H24N2O — CID 104913043

IUPAC(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
SMILESCCCC(NC(=O)[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-8-14(13-9-4-3-5-10-13)18-16(19)15-11-6-7-12-17-15/h3-5,9-10,14-15,17H,2,6-8,11-12H2,1H3,(H,18,19)/t14?,15-/m0/s1
InChIKeyCZTMMYXXAPZCDE-LOACHALJSA-N
MW260.38 g/mol
LogP2.79
Rot. Bonds5

About (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide

(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide (PubChem CID 104913043) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
PubChem CID104913043
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
SMILESCCCC(NC(=O)[C@@H]1CCCCN1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-8-14(13-9-4-3-5-10-13)18-16(19)15-11-6-7-12-17-15/h3-5,9-10,14-15,17H,2,6-8,11-12H2,1H3,(H,18,19)/t14?,15-/m0/s1
InChIKeyCZTMMYXXAPZCDE-LOACHALJSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
N-[cyclopropyl(phenyl)methyl]piperidine-2-carboxamide
CID 43709653
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
N-[cyclopropyl(phenyl)methyl]azepane-2-carboxamide
CID 64564390
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide (CID 104913043) is (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide is CCCC(NC(=O)[C@@H]1CCCCN1)c1ccccc1.
What is the InChIKey of (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide?
The InChIKey is CZTMMYXXAPZCDE-LOACHALJSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-8-14(13-9-4-3-5-10-13)18-16(19)15-11-6-7-12-17-15/h3-5,9-10,14-15,17H,2,6-8,11-12H2,1H3,(H,18,19)/t14?,15-/m0/s1.
What are the key properties of (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide?
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-phenylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 104913043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).