(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide

C16H24N2O3 — CID 120623267

IUPAC(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-11-9-13(7-8-17-11)16(20)18-10-15(19)12-3-5-14(21-2)6-4-12/h3-6,11,13,15,17,19H,7-10H2,1-2H3,(H,18,20)/t11-,13-,15?/m0/s1
InChIKeyXUKOLYVFXFAGNW-HEIKZBPMSA-N
MW292.38 g/mol
LogP1.23
Rot. Bonds5

About (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120623267) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120623267
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1ccc(C(O)CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-11-9-13(7-8-17-11)16(20)18-10-15(19)12-3-5-14(21-2)6-4-12/h3-6,11,13,15,17,19H,7-10H2,1-2H3,(H,18,20)/t11-,13-,15?/m0/s1
InChIKeyXUKOLYVFXFAGNW-HEIKZBPMSA-N
XLogP1.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621809
(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621886
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120623267) is (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide is COc1ccc(C(O)CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is XUKOLYVFXFAGNW-HEIKZBPMSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-13(7-8-17-11)16(20)18-10-15(19)12-3-5-14(21-2)6-4-12/h3-6,11,13,15,17,19H,7-10H2,1-2H3,(H,18,20)/t11-,13-,15?/m0/s1.
What are the key properties of (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120623267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).