ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate

C31H32N4O4 — CID 59387416

IUPACethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)C1
InChIInChI=1S/C31H32N4O4/c1-2-39-28(37)24-13-10-18-34(21-24)27(36)23-12-9-11-22(19-23)20-35-29(38)31(33-30(35)32,25-14-5-3-6-15-25)26-16-7-4-8-17-26/h3-9,11-12,14-17,19,24H,2,10,13,18,20-21H2,1H3,(H2,32,33)
InChIKeyNRKBDXZFWSTMKG-UHFFFAOYSA-N
MW524.62 g/mol
LogP3.70
Rot. Bonds7

About ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate

ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate (PubChem CID 59387416) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate
PubChem CID59387416
Molecular FormulaC31H32N4O4
Molecular Weight524.62 g/mol
Exact Mass524.24
IUPAC Nameethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)C1
InChIInChI=1S/C31H32N4O4/c1-2-39-28(37)24-13-10-18-34(21-24)27(36)23-12-9-11-22(19-23)20-35-29(38)31(33-30(35)32,25-14-5-3-6-15-25)26-16-7-4-8-17-26/h3-9,11-12,14-17,19,24H,2,10,13,18,20-21H2,1H3,(H2,32,33)
InChIKeyNRKBDXZFWSTMKG-UHFFFAOYSA-N
XLogP3.70
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
2-amino-3-[[3-(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 135155854
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 135155719
ethyl (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
ethyl (3R)-1-(3-nitrobenzoyl)piperidine-3-carboxylate
CID 7037159
ethyl 1-(3-chlorosulfonylbenzoyl)piperidine-3-carboxylate
CID 110823502
ethyl (3R)-1-[4-[(3-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
CID 93159062

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate (CID 59387416) is ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)C1.
What is the InChIKey of ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate?
The InChIKey is NRKBDXZFWSTMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-2-39-28(37)24-13-10-18-34(21-24)27(36)23-12-9-11-22(19-23)20-35-29(38)31(33-30(35)32,25-14-5-3-6-15-25)26-16-7-4-8-17-26/h3-9,11-12,14-17,19,24H,2,10,13,18,20-21H2,1H3,(H2,32,33).
What are the key properties of ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate?
ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate has a molecular weight of 524.62 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 59387416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).