[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate

C28H39FN2O4 — CID 123821229

IUPAC[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate
SMILESNC(=O)C1(OC(=O)C2CCCCC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H39FN2O4/c29-24-8-6-21(7-9-24)25(32)22-13-18-31(19-14-22)17-12-20-10-15-28(16-11-20,27(30)34)35-26(33)23-4-2-1-3-5-23/h6-9,20,22-23H,1-5,10-19H2,(H2,30,34)
InChIKeyJSZSDQPPDXOBHP-UHFFFAOYSA-N
MW486.63 g/mol
LogP4.65
Rot. Bonds8

About [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate

[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate (PubChem CID 123821229) has the molecular formula C28H39FN2O4 and a molecular weight of 486.63 g/mol. Its IUPAC name is [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate
PubChem CID123821229
Molecular FormulaC28H39FN2O4
Molecular Weight486.63 g/mol
Exact Mass486.29
IUPAC Name[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate
SMILESNC(=O)C1(OC(=O)C2CCCCC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H39FN2O4/c29-24-8-6-21(7-9-24)25(32)22-13-18-31(19-14-22)17-12-20-10-15-28(16-11-20,27(30)34)35-26(33)23-4-2-1-3-5-23/h6-9,20,22-23H,1-5,10-19H2,(H2,30,34)
InChIKeyJSZSDQPPDXOBHP-UHFFFAOYSA-N
XLogP4.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
CID 123388023
[1-carbamoyl-4-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 91585952
[1-carbamoyl-4-[2-[4-(3,4,5-trifluorophenyl)piperazin-1-yl]ethyl]cyclohexyl] cyclopent-3-ene-1-carboxylate
CID 91183725
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
(1S,4R)-bicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 69265460
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
CID 66628022
2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 143759148
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
[1-carbamoyl-4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl] oxane-4-carboxylate
CID 123976300
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
CID 149104494
2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25184916

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate?
The IUPAC name of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate (CID 123821229) is [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate.
What is the SMILES notation for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate?
The canonical SMILES for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate is NC(=O)C1(OC(=O)C2CCCCC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate?
The InChIKey is JSZSDQPPDXOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN2O4/c29-24-8-6-21(7-9-24)25(32)22-13-18-31(19-14-22)17-12-20-10-15-28(16-11-20,27(30)34)35-26(33)23-4-2-1-3-5-23/h6-9,20,22-23H,1-5,10-19H2,(H2,30,34).
What are the key properties of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate?
[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate has a molecular weight of 486.63 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate is sourced from PubChem (CID 123821229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).