5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid

C17H22N2O4 — CID 122118740

IUPAC5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
SMILESCCC(=O)Nc1cccc(C(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C17H22N2O4/c1-3-15(20)18-14-6-4-5-12(8-14)16(21)19-9-11(2)7-13(10-19)17(22)23/h4-6,8,11,13H,3,7,9-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyKJDRYBTWDAHMQN-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.22
Rot. Bonds4

About 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid

5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid (PubChem CID 122118740) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
PubChem CID122118740
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid
SMILESCCC(=O)Nc1cccc(C(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C17H22N2O4/c1-3-15(20)18-14-6-4-5-12(8-14)16(21)19-9-11(2)7-13(10-19)17(22)23/h4-6,8,11,13H,3,7,9-10H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyKJDRYBTWDAHMQN-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-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,4S)-1-[3-(propanoylamino)benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950477
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[3-(piperazine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119402184
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
1-[3-[[benzyl(methyl)amino]methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122116998
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 40847227
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid (CID 122118740) is 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid is CCC(=O)Nc1cccc(C(=O)N2CC(C)CC(C(=O)O)C2)c1.
What is the InChIKey of 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is KJDRYBTWDAHMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-15(20)18-14-6-4-5-12(8-14)16(21)19-9-11(2)7-13(10-19)17(22)23/h4-6,8,11,13H,3,7,9-10H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid?
5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(propanoylamino)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122118740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).