N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide

C28H41FN2O3 — CID 149104494

IUPACN-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
SMILESO=C(CC1CCC[C@@H](O)C1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H41FN2O3/c29-24-8-6-22(7-9-24)28(34)23-13-16-31(17-14-23)15-12-20-4-10-25(11-5-20)30-27(33)19-21-2-1-3-26(32)18-21/h6-9,20-21,23,25-26,32H,1-5,10-19H2,(H,30,33)/t20?,21?,25?,26-/m1/s1
InChIKeyQVJROCYQEYKGQN-LTMJQADRSA-N
MW472.65 g/mol
LogP4.73
Rot. Bonds8

About N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide

N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide (PubChem CID 149104494) has the molecular formula C28H41FN2O3 and a molecular weight of 472.65 g/mol. Its IUPAC name is N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
PubChem CID149104494
Molecular FormulaC28H41FN2O3
Molecular Weight472.65 g/mol
Exact Mass472.31
IUPAC NameN-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
SMILESO=C(CC1CCC[C@@H](O)C1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C28H41FN2O3/c29-24-8-6-22(7-9-24)28(34)23-13-16-31(17-14-23)15-12-20-4-10-25(11-5-20)30-27(33)19-21-2-1-3-26(32)18-21/h6-9,20-21,23,25-26,32H,1-5,10-19H2,(H,30,33)/t20?,21?,25?,26-/m1/s1
InChIKeyQVJROCYQEYKGQN-LTMJQADRSA-N
XLogP4.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide with MolForge

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Related Compounds

2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25184916
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
2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
CID 66628022
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
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 66627693
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
[1-carbamoyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl] 4-hydroxycyclohexane-1-carboxylate
CID 123388023
(1S,4R)-bicyclo[2.2.1]heptane-2-carboxylic acid;4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 69265460

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide (CID 149104494) is N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide is O=C(CC1CCC[C@@H](O)C1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide?
The InChIKey is QVJROCYQEYKGQN-LTMJQADRSA-N. The full InChI is InChI=1S/C28H41FN2O3/c29-24-8-6-22(7-9-24)28(34)23-13-16-31(17-14-23)15-12-20-4-10-25(11-5-20)30-27(33)19-21-2-1-3-26(32)18-21/h6-9,20-21,23,25-26,32H,1-5,10-19H2,(H,30,33)/t20?,21?,25?,26-/m1/s1.
What are the key properties of N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide?
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide has a molecular weight of 472.65 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 149104494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).