ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate

C25H29N3O4 — CID 46338970

IUPACethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2=NC(Cc3ccccc3)C(=O)N2c2ccccc2OC)CC1
InChIInChI=1S/C25H29N3O4/c1-3-32-24(30)19-13-15-27(16-14-19)25-26-20(17-18-9-5-4-6-10-18)23(29)28(25)21-11-7-8-12-22(21)31-2/h4-12,19-20H,3,13-17H2,1-2H3
InChIKeyPPBNCNZRXWTPMF-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.28
Rot. Bonds6

About ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate

ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate (PubChem CID 46338970) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate
PubChem CID46338970
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Nameethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2=NC(Cc3ccccc3)C(=O)N2c2ccccc2OC)CC1
InChIInChI=1S/C25H29N3O4/c1-3-32-24(30)19-13-15-27(16-14-19)25-26-20(17-18-9-5-4-6-10-18)23(29)28(25)21-11-7-8-12-22(21)31-2/h4-12,19-20H,3,13-17H2,1-2H3
InChIKeyPPBNCNZRXWTPMF-UHFFFAOYSA-N
XLogP3.28
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one
CID 46338950
ethyl (3S)-1-[(3R)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 7341851
ethyl 1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 3754828
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
benzyl 4-(4-ethoxycarbonylpiperidin-1-yl)-2,3-dihydroindole-1-carboxylate
CID 175962179
1-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 16583901
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 17324446
ethyl 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methoxyphenyl]piperidine-4-carboxylate
CID 167463395
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-[3-(trifluoromethylsulfonyloxy)-2-trimethylsilylphenyl]piperidine-4-carboxylate
CID 134957184

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate (CID 46338970) is ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C2=NC(Cc3ccccc3)C(=O)N2c2ccccc2OC)CC1.
What is the InChIKey of ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate?
The InChIKey is PPBNCNZRXWTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-32-24(30)19-13-15-27(16-14-19)25-26-20(17-18-9-5-4-6-10-18)23(29)28(25)21-11-7-8-12-22(21)31-2/h4-12,19-20H,3,13-17H2,1-2H3.
What are the key properties of ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate?
ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate has a molecular weight of 435.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 46338970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).