(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide

C20H31N3O2 — CID 120631213

IUPAC(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)[C@H]2CCN[C@@H](C)C2)N2CCCC2)c1
InChIInChI=1S/C20H31N3O2/c1-15-12-17(8-9-21-15)20(24)22-14-19(23-10-3-4-11-23)16-6-5-7-18(13-16)25-2/h5-7,13,15,17,19,21H,3-4,8-12,14H2,1-2H3,(H,22,24)/t15-,17-,19?/m0/s1
InChIKeyVCVJLZYCOXCJPU-GHFFVFNYSA-N
MW345.49 g/mol
LogP2.34
Rot. Bonds6

About (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120631213) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120631213
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
SMILESCOc1cccc(C(CNC(=O)[C@H]2CCN[C@@H](C)C2)N2CCCC2)c1
InChIInChI=1S/C20H31N3O2/c1-15-12-17(8-9-21-15)20(24)22-14-19(23-10-3-4-11-23)16-6-5-7-18(13-16)25-2/h5-7,13,15,17,19,21H,3-4,8-12,14H2,1-2H3,(H,22,24)/t15-,17-,19?/m0/s1
InChIKeyVCVJLZYCOXCJPU-GHFFVFNYSA-N
XLogP2.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
(2S,4S)-2-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;hydrochloride
CID 120634783
(2S,4R)-4-hydroxy-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 124688095
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 55522276
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267
3-cyclohexyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 43005794

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide (CID 120631213) is (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide is COc1cccc(C(CNC(=O)[C@H]2CCN[C@@H](C)C2)N2CCCC2)c1.
What is the InChIKey of (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is VCVJLZYCOXCJPU-GHFFVFNYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-12-17(8-9-21-15)20(24)22-14-19(23-10-3-4-11-23)16-6-5-7-18(13-16)25-2/h5-7,13,15,17,19,21H,3-4,8-12,14H2,1-2H3,(H,22,24)/t15-,17-,19?/m0/s1.
What are the key properties of (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120631213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).