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

C61H88N10O9 — CID 87370131

IUPACethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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)N(CC)CCc2cnc[nH]2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccccc2)NC(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C32H47N5O5.C29H41N5O4/c1-4-36(18-15-26-22-33-23-34-26)31(40)35-28(21-24-11-13-27(41-3)14-12-24)29(38)37-19-16-32(17-20-37,30(39)42-5-2)25-9-7-6-8-10-25;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/h11-14,22-23,25,28H,4-10,15-21H2,1-3H3,(H,33,34)(H,35,40);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,30,32)(H2,31,33,37)
InChIKeyCJXZIYDGQXTQDW-UHFFFAOYSA-N
MW1105.44 g/mol
LogP7.97
Rot. Bonds22

About ethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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 87370131) has the molecular formula C61H88N10O9 and a molecular weight of 1105.44 g/mol. Its IUPAC name is ethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
PubChem CID87370131
Molecular FormulaC61H88N10O9
Molecular Weight1105.44 g/mol
Exact Mass1104.67
IUPAC Nameethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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)N(CC)CCc2cnc[nH]2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccccc2)NC(=O)NCCc2cnc[nH]2)CC1
InChIInChI=1S/C32H47N5O5.C29H41N5O4/c1-4-36(18-15-26-22-33-23-34-26)31(40)35-28(21-24-11-13-27(41-3)14-12-24)29(38)37-19-16-32(17-20-37,30(39)42-5-2)25-9-7-6-8-10-25;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/h11-14,22-23,25,28H,4-10,15-21H2,1-3H3,(H,33,34)(H,35,40);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,30,32)(H2,31,33,37)
InChIKeyCJXZIYDGQXTQDW-UHFFFAOYSA-N
XLogP7.97
TPSA233.28 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001105.44
LogP ≤ 57.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze ethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate;ethyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-phenylpropanoyl]piperidine-4-carboxylate (CID 87370131) is ethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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)N(CC)CCc2cnc[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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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 CJXZIYDGQXTQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O5.C29H41N5O4/c1-4-36(18-15-26-22-33-23-34-26)31(40)35-28(21-24-11-13-27(41-3)14-12-24)29(38)37-19-16-32(17-20-37,30(39)42-5-2)25-9-7-6-8-10-25;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/h11-14,22-23,25,28H,4-10,15-21H2,1-3H3,(H,33,34)(H,35,40);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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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 1105.44 g/mol, XLogP of 7.97, 22 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyl-1-[2-[[ethyl-[2-(1H-imidazol-5-yl)ethyl]carbamoyl]amino]-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 87370131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).