1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid

C17H22N2O4 — CID 120514922

IUPAC1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H22N2O4/c1-11(2)18-15(20)12-6-8-13(9-7-12)16(21)19-10-4-3-5-14(19)17(22)23/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyWEHONMLRMZKHDT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.90
Rot. Bonds4

About 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid

1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 120514922) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
PubChem CID120514922
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
SMILESCC(C)NC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H22N2O4/c1-11(2)18-15(20)12-6-8-13(9-7-12)16(21)19-10-4-3-5-14(19)17(22)23/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyWEHONMLRMZKHDT-UHFFFAOYSA-N
XLogP1.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-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

1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120515009
1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 102559914
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
CID 78920023
(2S)-1-(4-propan-2-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119365064
(2R)-1-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371187
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119371394
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
(2S)-1-[4-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 66264234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid (CID 120514922) is 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid is CC(C)NC(=O)c1ccc(C(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is WEHONMLRMZKHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(2)18-15(20)12-6-8-13(9-7-12)16(21)19-10-4-3-5-14(19)17(22)23/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid?
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120514922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).