2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C30H45FN2O3 — CID 25184916

IUPAC2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCCOC1CCC(CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1
InChIInChI=1S/C30H45FN2O3/c1-2-36-28-13-5-23(6-14-28)21-29(34)32-27-11-3-22(4-12-27)15-18-33-19-16-25(17-20-33)30(35)24-7-9-26(31)10-8-24/h7-10,22-23,25,27-28H,2-6,11-21H2,1H3,(H,32,34)
InChIKeyIZEJKZAUMSPRMP-UHFFFAOYSA-N
MW500.70 g/mol
LogP5.77
Rot. Bonds10

About 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 25184916) has the molecular formula C30H45FN2O3 and a molecular weight of 500.70 g/mol. Its IUPAC name is 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID25184916
Molecular FormulaC30H45FN2O3
Molecular Weight500.70 g/mol
Exact Mass500.34
IUPAC Name2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCCOC1CCC(CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1
InChIInChI=1S/C30H45FN2O3/c1-2-36-28-13-5-23(6-14-28)21-29(34)32-27-11-3-22(4-12-27)15-18-33-19-16-25(17-20-33)30(35)24-7-9-26(31)10-8-24/h7-10,22-23,25,27-28H,2-6,11-21H2,1H3,(H,32,34)
InChIKeyIZEJKZAUMSPRMP-UHFFFAOYSA-N
XLogP5.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.70
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-2-[(3R)-3-hydroxycyclohexyl]acetamide
CID 149104494
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]-4-pyrrol-1-ylbenzamide
CID 66627561
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921
(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
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 66627693
2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627629
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 25184916) is 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is CCOC1CCC(CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)CC1.
What is the InChIKey of 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is IZEJKZAUMSPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45FN2O3/c1-2-36-28-13-5-23(6-14-28)21-29(34)32-27-11-3-22(4-12-27)15-18-33-19-16-25(17-20-33)30(35)24-7-9-26(31)10-8-24/h7-10,22-23,25,27-28H,2-6,11-21H2,1H3,(H,32,34).
What are the key properties of 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 500.70 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 25184916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).