(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide

C25H33N3O2 — CID 42395118

IUPAC(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O
InChIInChI=1S/C25H33N3O2/c1-27(2)17-18-28-19-22(13-14-24(28)29)25(30)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22-23H,13-19H2,1-2H3,(H,26,30)/t22-/m0/s1
InChIKeyYSKWTLFKEWSYQT-QFIPXVFZSA-N
MW407.56 g/mol
LogP3.12
Rot. Bonds9

About (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide

(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42395118) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID42395118
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O
InChIInChI=1S/C25H33N3O2/c1-27(2)17-18-28-19-22(13-14-24(28)29)25(30)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22-23H,13-19H2,1-2H3,(H,26,30)/t22-/m0/s1
InChIKeyYSKWTLFKEWSYQT-QFIPXVFZSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(3R)-N-[3-[cyclopentyl(methyl)amino]propyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25281331
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide (CID 42395118) is (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide is CN(C)CCN1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O.
What is the InChIKey of (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YSKWTLFKEWSYQT-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-27(2)17-18-28-19-22(13-14-24(28)29)25(30)26-16-15-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22-23H,13-19H2,1-2H3,(H,26,30)/t22-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide?
(3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)ethyl]-N-(3,3-diphenylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42395118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).