2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one

C29H30N4O2 — CID 58425188

IUPAC2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C29H30N4O2/c30-28-31-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)27(35)33(28)21-23-13-10-18-32(20-23)26(34)19-22-11-4-1-5-12-22/h1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31)
InChIKeyPBHGKCYIWOGFRJ-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.57
Rot. Bonds6

About 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one

2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one (PubChem CID 58425188) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
PubChem CID58425188
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C29H30N4O2/c30-28-31-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)27(35)33(28)21-23-13-10-18-32(20-23)26(34)19-22-11-4-1-5-12-22/h1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31)
InChIKeyPBHGKCYIWOGFRJ-UHFFFAOYSA-N
XLogP3.57
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
2-amino-5,5-diphenyl-3-[[1-(piperidine-4-carbonyl)piperidin-4-yl]methyl]imidazol-4-one
CID 25006053
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 59387080
2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-amino-5-butyl-3-methyl-5-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one
CID 89115826
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-methyl-3-[[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]methyl]imidazol-4-one
CID 158169162
1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633659

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one (CID 58425188) is 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?
The InChIKey is PBHGKCYIWOGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c30-28-31-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)27(35)33(28)21-23-13-10-18-32(20-23)26(34)19-22-11-4-1-5-12-22/h1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31).
What are the key properties of 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one has a molecular weight of 466.59 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one is sourced from PubChem (CID 58425188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).