1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C19H25N3O4 — CID 119355069

IUPAC1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)N3CCC(C(=O)O)C3)C2)c1
InChIInChI=1S/C19H25N3O4/c1-13-4-2-6-16(10-13)20-19(26)22-8-3-5-14(11-22)17(23)21-9-7-15(12-21)18(24)25/h2,4,6,10,14-15H,3,5,7-9,11-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyCTTPAXILKUNABW-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.17
Rot. Bonds3

About 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid

1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355069) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119355069
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)N3CCC(C(=O)O)C3)C2)c1
InChIInChI=1S/C19H25N3O4/c1-13-4-2-6-16(10-13)20-19(26)22-8-3-5-14(11-22)17(23)21-9-7-15(12-21)18(24)25/h2,4,6,10,14-15H,3,5,7-9,11-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyCTTPAXILKUNABW-UHFFFAOYSA-N
XLogP2.17
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-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

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119355069) is 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is Cc1cccc(NC(=O)N2CCCC(C(=O)N3CCC(C(=O)O)C3)C2)c1.
What is the InChIKey of 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CTTPAXILKUNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-4-2-6-16(10-13)20-19(26)22-8-3-5-14(11-22)17(23)21-9-7-15(12-21)18(24)25/h2,4,6,10,14-15H,3,5,7-9,11-12H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).