4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid

C28H31N5O6 — CID 66829880

IUPAC4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2[nH]c(=O)n(C3CCCN(C(=O)OCc4ccccc4)C3)c2-c2ccccc2)CC1
InChIInChI=1S/C28H31N5O6/c34-25(30-14-16-31(17-15-30)27(36)37)23-24(21-10-5-2-6-11-21)33(26(35)29-23)22-12-7-13-32(18-22)28(38)39-19-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,29,35)(H,36,37)
InChIKeyVMHGBWUUQUDBDY-UHFFFAOYSA-N
MW533.59 g/mol
LogP3.25
Rot. Bonds5

About 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid

4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid (PubChem CID 66829880) has the molecular formula C28H31N5O6 and a molecular weight of 533.59 g/mol. Its IUPAC name is 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid
PubChem CID66829880
Molecular FormulaC28H31N5O6
Molecular Weight533.59 g/mol
Exact Mass533.23
IUPAC Name4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)c2[nH]c(=O)n(C3CCCN(C(=O)OCc4ccccc4)C3)c2-c2ccccc2)CC1
InChIInChI=1S/C28H31N5O6/c34-25(30-14-16-31(17-15-30)27(36)37)23-24(21-10-5-2-6-11-21)33(26(35)29-23)22-12-7-13-32(18-22)28(38)39-19-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,29,35)(H,36,37)
InChIKeyVMHGBWUUQUDBDY-UHFFFAOYSA-N
XLogP3.25
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-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

Related Compounds

benzyl 3-(5-ethoxycarbonyl-2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 59292287
tert-butyl 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methane;2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carboxylic acid
CID 158763138
tert-butyl 4-[2-oxo-4-phenyl-3-[(1R,2R)-2-phenylmethoxycyclohexyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 59292285
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3S)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 138622025
benzyl (3S)-3-(2-acetylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 97170796
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid (CID 66829880) is 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)c2[nH]c(=O)n(C3CCCN(C(=O)OCc4ccccc4)C3)c2-c2ccccc2)CC1.
What is the InChIKey of 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid?
The InChIKey is VMHGBWUUQUDBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O6/c34-25(30-14-16-31(17-15-30)27(36)37)23-24(21-10-5-2-6-11-21)33(26(35)29-23)22-12-7-13-32(18-22)28(38)39-19-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-19H2,(H,29,35)(H,36,37).
What are the key properties of 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid?
4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid has a molecular weight of 533.59 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 66829880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).