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

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Related Compounds

4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
3-chloro-N-cyclopropyl-4-(4-phenylimidazol-1-yl)-N-piperidin-4-ylbenzamide
CID 118292188
4-[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]-cyclopropylamino]piperidine-1-carboxylic acid
CID 118292196
1-(4-tert-butylphenyl)-4-phenylimidazole
CID 174700905
4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid
CID 175226509
N-[3-(1H-imidazol-2-yl)propyl]-4-(1-phenylimidazol-4-yl)benzamide
CID 91763304
N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995
6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid
CID 137435694
1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone
CID 23725857
2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 71497994
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
3-[4-(1-acetylpiperidin-4-yl)imidazol-1-yl]benzoic acid
CID 174718580

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).