4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide

C29H33N5O2 — CID 145460858

IUPAC4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(C2C=CC=CC2)C(=O)N1CC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C29H33N5O2/c30-27-32-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)26(35)34(27)21-23-16-18-33(19-17-23)28(36)31-20-22-10-4-1-5-11-22/h1-14,23,25H,15-21H2,(H2,30,32)(H,31,36)
InChIKeyFIIXDJBKPASEDO-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.79
Rot. Bonds6

About 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide

4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide (PubChem CID 145460858) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide
PubChem CID145460858
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide
SMILESNC1=NC(c2ccccc2)(C2C=CC=CC2)C(=O)N1CC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C29H33N5O2/c30-27-32-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)26(35)34(27)21-23-16-18-33(19-17-23)28(36)31-20-22-10-4-1-5-11-22/h1-14,23,25H,15-21H2,(H2,30,32)(H,31,36)
InChIKeyFIIXDJBKPASEDO-UHFFFAOYSA-N
XLogP3.79
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 59262523
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 59388633
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
4-[[2-amino-4-methyl-5-methylidene-4-(2-methylpropyl)imidazol-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 145461739
2-amino-3-[[1-[(2S)-2-amino-2-phenylacetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
CID 70304549
2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
CID 25006053
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
4-[(2-amino-4-cyclohexa-1,3-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-(5-methoxycyclohexa-2,4-dien-1-yl)piperidine-1-carboxamide
CID 143244196
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide (CID 145460858) is 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide is NC1=NC(c2ccccc2)(C2C=CC=CC2)C(=O)N1CC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide?
The InChIKey is FIIXDJBKPASEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c30-27-32-29(24-12-6-2-7-13-24,25-14-8-3-9-15-25)26(35)34(27)21-23-16-18-33(19-17-23)28(36)31-20-22-10-4-1-5-11-22/h1-14,23,25H,15-21H2,(H2,30,32)(H,31,36).
What are the key properties of 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide?
4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-cyclohexa-2,4-dien-1-yl-5-oxo-4-phenylimidazol-1-yl)methyl]-N-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 145460858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).