ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate

C59H84N10O9 — CID 87370053

IUPACethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2cnc[nH]2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccccc2)NC(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C30H43N5O5.C29H41N5O4/c1-3-40-28(37)30(23-7-5-4-6-8-23)14-17-35(18-15-30)27(36)26(19-22-9-11-25(39-2)12-10-22)34-29(38)32-16-13-24-20-31-21-33-24;1-2-38-27(36)29(23-11-7-4-8-12-23)14-17-34(18-15-29)26(35)25(19-22-9-5-3-6-10-22)33-28(37)31-16-13-24-20-30-21-32-24/h9-12,20-21,23,26H,3-8,13-19H2,1-2H3,(H,31,33)(H2,32,34,38);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,30,32)(H2,31,33,37)
InChIKeySEHRECRPRBCHMN-UHFFFAOYSA-N
MW1077.38 g/mol
LogP7.24
Rot. Bonds21

About ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate

ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate (PubChem CID 87370053) has the molecular formula C59H84N10O9 and a molecular weight of 1077.38 g/mol. Its IUPAC name is ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
PubChem CID87370053
Molecular FormulaC59H84N10O9
Molecular Weight1077.38 g/mol
Exact Mass1076.64
IUPAC Nameethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2cnc[nH]2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccccc2)NC(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C30H43N5O5.C29H41N5O4/c1-3-40-28(37)30(23-7-5-4-6-8-23)14-17-35(18-15-30)27(36)26(19-22-9-11-25(39-2)12-10-22)34-29(38)32-16-13-24-20-31-21-33-24;1-2-38-27(36)29(23-11-7-4-8-12-23)14-17-34(18-15-29)26(35)25(19-22-9-5-3-6-10-22)33-28(37)31-16-13-24-20-30-21-32-24/h9-12,20-21,23,26H,3-8,13-19H2,1-2H3,(H,31,33)(H2,32,34,38);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,30,32)(H2,31,33,37)
InChIKeySEHRECRPRBCHMN-UHFFFAOYSA-N
XLogP7.24
TPSA242.07 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001077.38
LogP ≤ 57.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate (CID 87370053) is ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2cnc[nH]2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccccc2)NC(=O)NCCc2cnc[nH]2)CC1.
What is the InChIKey of ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?
The InChIKey is SEHRECRPRBCHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O5.C29H41N5O4/c1-3-40-28(37)30(23-7-5-4-6-8-23)14-17-35(18-15-30)27(36)26(19-22-9-11-25(39-2)12-10-22)34-29(38)32-16-13-24-20-31-21-33-24;1-2-38-27(36)29(23-11-7-4-8-12-23)14-17-34(18-15-29)26(35)25(19-22-9-5-3-6-10-22)33-28(37)31-16-13-24-20-30-21-32-24/h9-12,20-21,23,26H,3-8,13-19H2,1-2H3,(H,31,33)(H2,32,34,38);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,30,32)(H2,31,33,37).
What are the key properties of ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?
ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate has a molecular weight of 1077.38 g/mol, XLogP of 7.24, 21 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 87370053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).