1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid

C16H22N2O3 — CID 171389822

IUPAC1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
SMILESCC(C)Nc1ccccc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-11(2)17-14-8-4-3-7-13(14)15(19)18-9-5-6-12(10-18)16(20)21/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,20,21)
InChIKeyOTEUJPODJIZWNC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid

1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid (PubChem CID 171389822) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
PubChem CID171389822
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
SMILESCC(C)Nc1ccccc1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-11(2)17-14-8-4-3-7-13(14)15(19)18-9-5-6-12(10-18)16(20)21/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,20,21)
InChIKeyOTEUJPODJIZWNC-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(propan-2-ylamino)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

(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(3R)-1-(2-propan-2-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 125145711
(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 64599208
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(3S)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 107949380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid (CID 171389822) is 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid is CC(C)Nc1ccccc1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is OTEUJPODJIZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)17-14-8-4-3-7-13(14)15(19)18-9-5-6-12(10-18)16(20)21/h3-4,7-8,11-12,17H,5-6,9-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid?
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 171389822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).