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

C28H39FN2O5 — CID 123388023

IUPAC[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCC(O)CC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H39FN2O5/c29-23-5-1-20(2-6-23)25(33)21-12-17-31(18-13-21)16-11-19-9-14-28(15-10-19,27(30)35)36-26(34)22-3-7-24(32)8-4-22/h1-2,5-6,19,21-22,24,32H,3-4,7-18H2,(H2,30,35)
InChIKeyDGCVXZDWARIESK-UHFFFAOYSA-N
MW502.63 g/mol
LogP3.62
Rot. Bonds8

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

[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate (PubChem CID 123388023) has the molecular formula C28H39FN2O5 and a molecular weight of 502.63 g/mol. Its IUPAC name is [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
PubChem CID123388023
Molecular FormulaC28H39FN2O5
Molecular Weight502.63 g/mol
Exact Mass502.28
IUPAC Name[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
SMILESNC(=O)C1(OC(=O)C2CCC(O)CC2)CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H39FN2O5/c29-23-5-1-20(2-6-23)25(33)21-12-17-31(18-13-21)16-11-19-9-14-28(15-10-19,27(30)35)36-26(34)22-3-7-24(32)8-4-22/h1-2,5-6,19,21-22,24,32H,3-4,7-18H2,(H2,30,35)
InChIKeyDGCVXZDWARIESK-UHFFFAOYSA-N
XLogP3.62
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate with MolForge

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Related Compounds

[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] cyclohexanecarboxylate
CID 123821229
[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
(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-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
(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
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
CID 149104494
2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 143759148
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyrrol-1-ylbenzamide
CID 66627561
[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

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate (CID 123388023) is [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate is NC(=O)C1(OC(=O)C2CCC(O)CC2)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] 4-hydroxycyclohexane-1-carboxylate?
The InChIKey is DGCVXZDWARIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN2O5/c29-23-5-1-20(2-6-23)25(33)21-12-17-31(18-13-21)16-11-19-9-14-28(15-10-19,27(30)35)36-26(34)22-3-7-24(32)8-4-22/h1-2,5-6,19,21-22,24,32H,3-4,7-18H2,(H2,30,35).
What are the key properties of [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate?
[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate has a molecular weight of 502.63 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 123388023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).