1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate

C70H77N7O7 — CID 161147463

IUPAC1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate
SMILESC=C/C(=C\C)CN1CCC(N(C)C(=O)n2cnc(-c3ccc(C(=O)COCc4ccccc4)cc3)c2)CC1.CCC1CCN(Cc2ccccc2)CC1.O=C(COCc1ccccc1)c1ccc(-c2cn(C(=O)Oc3ccccc3)cn2)cc1
InChIInChI=1S/C31H36N4O3.C25H20N2O4.C14H21N/c1-4-24(5-2)19-34-17-15-28(16-18-34)33(3)31(37)35-20-29(32-23-35)26-11-13-27(14-12-26)30(36)22-38-21-25-9-7-6-8-10-25;28-24(17-30-16-19-7-3-1-4-8-19)21-13-11-20(12-14-21)23-15-27(18-26-23)25(29)31-22-9-5-2-6-10-22;1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h4-14,20,23,28H,1,15-19,21-22H2,2-3H3;1-15,18H,16-17H2;3-7,13H,2,8-12H2,1H3/b24-5+;;
InChIKeyUOFZUAFHGWQPIA-ZGWMFPSGSA-N
MW1128.43 g/mol
LogP13.75
Rot. Bonds20

About 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate

1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate (PubChem CID 161147463) has the molecular formula C70H77N7O7 and a molecular weight of 1128.43 g/mol. Its IUPAC name is 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate.

Molecular Properties

Compound Name1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate
PubChem CID161147463
Molecular FormulaC70H77N7O7
Molecular Weight1128.43 g/mol
Exact Mass1127.59
IUPAC Name1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate
SMILESC=C/C(=C\C)CN1CCC(N(C)C(=O)n2cnc(-c3ccc(C(=O)COCc4ccccc4)cc3)c2)CC1.CCC1CCN(Cc2ccccc2)CC1.O=C(COCc1ccccc1)c1ccc(-c2cn(C(=O)Oc3ccccc3)cn2)cc1
InChIInChI=1S/C31H36N4O3.C25H20N2O4.C14H21N/c1-4-24(5-2)19-34-17-15-28(16-18-34)33(3)31(37)35-20-29(32-23-35)26-11-13-27(14-12-26)30(36)22-38-21-25-9-7-6-8-10-25;28-24(17-30-16-19-7-3-1-4-8-19)21-13-11-20(12-14-21)23-15-27(18-26-23)25(29)31-22-9-5-2-6-10-22;1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h4-14,20,23,28H,1,15-19,21-22H2,2-3H3;1-15,18H,16-17H2;3-7,13H,2,8-12H2,1H3/b24-5+;;
InChIKeyUOFZUAFHGWQPIA-ZGWMFPSGSA-N
XLogP13.75
TPSA141.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.43
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate with MolForge

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Related Compounds

1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
CID 158992619
1-benzyl-N-methylpiperidin-4-amine;N-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-chlorophenyl)imidazole-1-carboxylate
CID 158648644
N-(1-benzylpiperidin-4-yl)-N-methyl-4-(4-sulfamoylphenyl)imidazole-1-carboxamide
CID 66683001
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide
CID 159011987
N-(1-benzylpiperidin-4-yl)-4-[3-(hydroxycarbamoyl)phenyl]-N-methylimidazole-1-carboxamide
CID 87105205
4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 130385080
N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide
CID 87121267
(Z)-but-2-enedioic acid;[4-[1-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-methylcarbamoyl]imidazol-4-yl]phenyl] sulfamate
CID 121393605
4-[2-[[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]amino]ethyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 130385085
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]azanium
CID 144785567
N-(1-acetylpiperidin-4-yl)-4-(4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66682485
bis(4-[3-(carbamoylamino)phenyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-methylimidazole-1-carboxamide);dihydrochloride
CID 157156754

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate?
The IUPAC name of 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate (CID 161147463) is 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate.
What is the SMILES notation for 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate?
The canonical SMILES for 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate is C=C/C(=C\C)CN1CCC(N(C)C(=O)n2cnc(-c3ccc(C(=O)COCc4ccccc4)cc3)c2)CC1.CCC1CCN(Cc2ccccc2)CC1.O=C(COCc1ccccc1)c1ccc(-c2cn(C(=O)Oc3ccccc3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate?
The InChIKey is UOFZUAFHGWQPIA-ZGWMFPSGSA-N. The full InChI is InChI=1S/C31H36N4O3.C25H20N2O4.C14H21N/c1-4-24(5-2)19-34-17-15-28(16-18-34)33(3)31(37)35-20-29(32-23-35)26-11-13-27(14-12-26)30(36)22-38-21-25-9-7-6-8-10-25;28-24(17-30-16-19-7-3-1-4-8-19)21-13-11-20(12-14-21)23-15-27(18-26-23)25(29)31-22-9-5-2-6-10-22;1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h4-14,20,23,28H,1,15-19,21-22H2,2-3H3;1-15,18H,16-17H2;3-7,13H,2,8-12H2,1H3/b24-5+;;.
What are the key properties of 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate?
1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate has a molecular weight of 1128.43 g/mol, XLogP of 13.75, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethylpiperidine;N-[1-[(E)-2-ethenylbut-2-enyl]piperidin-4-yl]-N-methyl-4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxamide;phenyl 4-[4-(2-phenylmethoxyacetyl)phenyl]imidazole-1-carboxylate is sourced from PubChem (CID 161147463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).