4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid

C25H26N4O3 — CID 90000912

IUPAC4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)c2ccc(-n3cnc(-c4ccccc4)c3)cc2)C2CC2)CC1
InChIInChI=1S/C25H26N4O3/c30-24(29(21-10-11-21)22-12-14-27(15-13-22)25(31)32)19-6-8-20(9-7-19)28-16-23(26-17-28)18-4-2-1-3-5-18/h1-9,16-17,21-22H,10-15H2,(H,31,32)
InChIKeyGTDOVSIENKLFTN-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds5

About 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid

4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid (PubChem CID 90000912) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid
PubChem CID90000912
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)c2ccc(-n3cnc(-c4ccccc4)c3)cc2)C2CC2)CC1
InChIInChI=1S/C25H26N4O3/c30-24(29(21-10-11-21)22-12-14-27(15-13-22)25(31)32)19-6-8-20(9-7-19)28-16-23(26-17-28)18-4-2-1-3-5-18/h1-9,16-17,21-22H,10-15H2,(H,31,32)
InChIKeyGTDOVSIENKLFTN-UHFFFAOYSA-N
XLogP4.29
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid (CID 90000912) is 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(N(C(=O)c2ccc(-n3cnc(-c4ccccc4)c3)cc2)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid?
The InChIKey is GTDOVSIENKLFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(29(21-10-11-21)22-12-14-27(15-13-22)25(31)32)19-6-8-20(9-7-19)28-16-23(26-17-28)18-4-2-1-3-5-18/h1-9,16-17,21-22H,10-15H2,(H,31,32).
What are the key properties of 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid?
4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid has a molecular weight of 430.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 90000912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).