(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

C15H22N2O2 — CID 81141408

IUPAC(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)19-2)17-15(18)12-6-5-9-16-10-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,17,18)/t11?,12-/m0/s1
InChIKeyGURBJJZGDVASOA-KIYNQFGBSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds4

About (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81141408) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID81141408
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)19-2)17-15(18)12-6-5-9-16-10-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,17,18)/t11?,12-/m0/s1
InChIKeyGURBJJZGDVASOA-KIYNQFGBSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 81141408) is (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1ccccc1C(C)NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is GURBJJZGDVASOA-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-14(13)19-2)17-15(18)12-6-5-9-16-10-12/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,17,18)/t11?,12-/m0/s1.
What are the key properties of (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81141408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).