(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide

C21H26ClN3O2 — CID 74238020

IUPAC(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C[C@H]1O
InChIInChI=1S/C21H26ClN3O2/c1-24(2)13-17-10-11-25(14-20(17)26)21(27)23-19-5-3-4-16(12-19)15-6-8-18(22)9-7-15/h3-9,12,17,20,26H,10-11,13-14H2,1-2H3,(H,23,27)/t17-,20+/m0/s1
InChIKeyOWFARCLJPMMEBW-FXAWDEMLSA-N
MW387.91 g/mol
LogP3.78
Rot. Bonds4

About (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide

(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 74238020) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID74238020
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C[C@H]1O
InChIInChI=1S/C21H26ClN3O2/c1-24(2)13-17-10-11-25(14-20(17)26)21(27)23-19-5-3-4-16(12-19)15-6-8-18(22)9-7-15/h3-9,12,17,20,26H,10-11,13-14H2,1-2H3,(H,23,27)/t17-,20+/m0/s1
InChIKeyOWFARCLJPMMEBW-FXAWDEMLSA-N
XLogP3.78
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
CID 118767375
(3S,4S)-4-[(dimethylamino)methyl]-N-(2-fluoro-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 72920199
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 74237755
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(4-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxamide
CID 156703408
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide (CID 74238020) is (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide is CN(C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)C[C@H]1O.
What is the InChIKey of (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is OWFARCLJPMMEBW-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-24(2)13-17-10-11-25(14-20(17)26)21(27)23-19-5-3-4-16(12-19)15-6-8-18(22)9-7-15/h3-9,12,17,20,26H,10-11,13-14H2,1-2H3,(H,23,27)/t17-,20+/m0/s1.
What are the key properties of (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide?
(3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[3-(4-chlorophenyl)phenyl]-4-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 74238020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).