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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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).