2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one

C30H33N5O2 — CID 59388633

IUPAC2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C30H33N5O2/c31-26(20-22-10-4-1-5-11-22)27(36)34-18-16-23(17-19-34)21-35-28(37)30(33-29(35)32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21,31H2,(H2,32,33)
InChIKeyFECVCEGTLJTFAL-UHFFFAOYSA-N
MW495.63 g/mol
LogP2.90
Rot. Bonds7

About 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one

2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 59388633) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID59388633
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC Name2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C30H33N5O2/c31-26(20-22-10-4-1-5-11-22)27(36)34-18-16-23(17-19-34)21-35-28(37)30(33-29(35)32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21,31H2,(H2,32,33)
InChIKeyFECVCEGTLJTFAL-UHFFFAOYSA-N
XLogP2.90
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one with MolForge

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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
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 59262523
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 59387080
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119843113
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2S)-2-amino-1-(4-ethenylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119323399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one (CID 59388633) is 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is FECVCEGTLJTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c31-26(20-22-10-4-1-5-11-22)27(36)34-18-16-23(17-19-34)21-35-28(37)30(33-29(35)32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,23,26H,16-21,31H2,(H2,32,33).
What are the key properties of 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 495.63 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 59388633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).