2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide

C32H36FN3O2 — CID 66627723

IUPAC2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide
SMILESNC(=O)c1ccc(-c2ccccn2)cc1C1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C32H36FN3O2/c33-27-11-8-24(9-12-27)31(37)25-15-19-36(20-16-25)18-14-22-4-6-23(7-5-22)29-21-26(10-13-28(29)32(34)38)30-3-1-2-17-35-30/h1-3,8-13,17,21-23,25H,4-7,14-16,18-20H2,(H2,34,38)
InChIKeyIXUSIAPIKGLZRR-UHFFFAOYSA-N
MW513.66 g/mol
LogP6.25
Rot. Bonds8

About 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide

2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide (PubChem CID 66627723) has the molecular formula C32H36FN3O2 and a molecular weight of 513.66 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide
PubChem CID66627723
Molecular FormulaC32H36FN3O2
Molecular Weight513.66 g/mol
Exact Mass513.28
IUPAC Name2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide
SMILESNC(=O)c1ccc(-c2ccccn2)cc1C1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C32H36FN3O2/c33-27-11-8-24(9-12-27)31(37)25-15-19-36(20-16-25)18-14-22-4-6-23(7-5-22)29-21-26(10-13-28(29)32(34)38)30-3-1-2-17-35-30/h1-3,8-13,17,21-23,25H,4-7,14-16,18-20H2,(H2,34,38)
InChIKeyIXUSIAPIKGLZRR-UHFFFAOYSA-N
XLogP6.25
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-31020028
CID 25134625
Dmp-543
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N-[4-[4-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
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N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
CID 57392493
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
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(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(4-pyridin-2-ylphenyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 44240972
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(6-phenyl-3-pyridinyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 44241022
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
CID 56597953
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(5-phenyl-2-pyridinyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 57900045
N-(4-fluorobenzyl)-N-(pyridin-4-yl)-2-naphthamide
CID 46886448
3-(1-methylpiperidin-1-ium-1-yl)-N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)propanamide iodide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide (CID 66627723) is 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide is NC(=O)c1ccc(-c2ccccn2)cc1C1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide?
The InChIKey is IXUSIAPIKGLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O2/c33-27-11-8-24(9-12-27)31(37)25-15-19-36(20-16-25)18-14-22-4-6-23(7-5-22)29-21-26(10-13-28(29)32(34)38)30-3-1-2-17-35-30/h1-3,8-13,17,21-23,25H,4-7,14-16,18-20H2,(H2,34,38).
What are the key properties of 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide?
2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide has a molecular weight of 513.66 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 66627723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).