(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C25H31N3O4 — CID 40919247

IUPAC(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C25H31N3O4/c1-31-20-12-13-21(23(16-20)32-2)22-11-7-15-28(22)24(29)18-8-6-14-27(17-18)25(30)26-19-9-4-3-5-10-19/h3-5,9-10,12-13,16,18,22H,6-8,11,14-15,17H2,1-2H3,(H,26,30)/t18-,22+/m1/s1
InChIKeyUQYQFMLNGUMVPI-GCJKJVERSA-N
MW437.54 g/mol
LogP4.31
Rot. Bonds5

About (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 40919247) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID40919247
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C25H31N3O4/c1-31-20-12-13-21(23(16-20)32-2)22-11-7-15-28(22)24(29)18-8-6-14-27(17-18)25(30)26-19-9-4-3-5-10-19/h3-5,9-10,12-13,16,18,22H,6-8,11,14-15,17H2,1-2H3,(H,26,30)/t18-,22+/m1/s1
InChIKeyUQYQFMLNGUMVPI-GCJKJVERSA-N
XLogP4.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 55836469
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55413626
[1-(benzenesulfonyl)piperidin-4-yl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498564
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498568
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 40919247) is (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(OC)c1.
What is the InChIKey of (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is UQYQFMLNGUMVPI-GCJKJVERSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-20-12-13-21(23(16-20)32-2)22-11-7-15-28(22)24(29)18-8-6-14-27(17-18)25(30)26-19-9-4-3-5-10-19/h3-5,9-10,12-13,16,18,22H,6-8,11,14-15,17H2,1-2H3,(H,26,30)/t18-,22+/m1/s1.
What are the key properties of (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 40919247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).