(3S)-1-(2-phenylethyl)piperidine-3-carboxamide

C14H20N2O — CID 782930

IUPAC(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c15-14(17)13-7-4-9-16(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,15,17)/t13-/m0/s1
InChIKeyXFPABKXIZOYZBL-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.43
Rot. Bonds4

About (3S)-1-(2-phenylethyl)piperidine-3-carboxamide

(3S)-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 782930) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3S)-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID782930
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c15-14(17)13-7-4-9-16(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,15,17)/t13-/m0/s1
InChIKeyXFPABKXIZOYZBL-ZDUSSCGKSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
1-[[4-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide
CID 45166002
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
1-methylsulfonyl-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 155902002
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-phenylethyl)piperidine-3-carboxamide (CID 782930) is (3S)-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-phenylethyl)piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (3S)-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is XFPABKXIZOYZBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c15-14(17)13-7-4-9-16(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H2,15,17)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-phenylethyl)piperidine-3-carboxamide?
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 782930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).