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

C15H23ClN2O2 — CID 119683030

IUPAC(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C(C)NC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(12-7-3-4-9-14(12)19-2)17-15(18)13-8-5-6-10-16-13;/h3-4,7,9,11,13,16H,5-6,8,10H2,1-2H3,(H,17,18);1H/t11?,13-;/m0./s1
InChIKeyDSGYYBYXINRXQZ-IYWIJXFJSA-N
MW298.81 g/mol
LogP2.44
Rot. Bonds4

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

(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119683030) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119683030
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C(C)NC(=O)[C@@H]1CCCCN1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(12-7-3-4-9-14(12)19-2)17-15(18)13-8-5-6-10-16-13;/h3-4,7,9,11,13,16H,5-6,8,10H2,1-2H3,(H,17,18);1H/t11?,13-;/m0./s1
InChIKeyDSGYYBYXINRXQZ-IYWIJXFJSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
(2R)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 103808923
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119683030) is (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is COc1ccccc1C(C)NC(=O)[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is DSGYYBYXINRXQZ-IYWIJXFJSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(12-7-3-4-9-14(12)19-2)17-15(18)13-8-5-6-10-16-13;/h3-4,7,9,11,13,16H,5-6,8,10H2,1-2H3,(H,17,18);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119683030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).