(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid

C20H27N3O4 — CID 70736183

IUPAC(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-21(2)20(27)22-10-8-15(9-11-22)18(24)23-12-16(17(13-23)19(25)26)14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,25,26)/t16-,17+/m0/s1
InChIKeyOXMRTDSNFHFKND-DLBZAZTESA-N
MW373.45 g/mol
LogP1.71
Rot. Bonds3

About (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid

(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid (PubChem CID 70736183) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid
PubChem CID70736183
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-21(2)20(27)22-10-8-15(9-11-22)18(24)23-12-16(17(13-23)19(25)26)14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,25,26)/t16-,17+/m0/s1
InChIKeyOXMRTDSNFHFKND-DLBZAZTESA-N
XLogP1.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 70774229
(3R,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133114687
(3S,4R)-1-(1-acetylpiperidine-4-carbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70709412
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
CID 13039297
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120749109
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
N,N-dimethyl-4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidine-1-carboxamide
CID 45219447
(3S,4R)-4-phenyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 166299597
(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 124862372
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
(3R)-N-methyl-N-phenyl-1-[(1S,2S)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100650532

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid (CID 70736183) is (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid is CN(C)C(=O)N1CCC(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)CC1.
What is the InChIKey of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is OXMRTDSNFHFKND-DLBZAZTESA-N. The full InChI is InChI=1S/C20H27N3O4/c1-21(2)20(27)22-10-8-15(9-11-22)18(24)23-12-16(17(13-23)19(25)26)14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3,(H,25,26)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid?
(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 373.45 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70736183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).