4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile

C33H32FN3O4 — CID 58073476

IUPAC4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H32FN3O4/c34-27-8-5-24(6-9-27)32(39)25-15-17-37(18-16-25)33(40)26-7-14-30(36-21-26)31(38)19-22-1-10-28(11-2-22)41-29-12-3-23(20-35)4-13-29/h3-9,12-14,21-22,25,28H,1-2,10-11,15-19H2
InChIKeyYASWFWJHNVDSKV-UHFFFAOYSA-N
MW553.63 g/mol
LogP6.04
Rot. Bonds8

About 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile

4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile (PubChem CID 58073476) has the molecular formula C33H32FN3O4 and a molecular weight of 553.63 g/mol. Its IUPAC name is 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile
PubChem CID58073476
Molecular FormulaC33H32FN3O4
Molecular Weight553.63 g/mol
Exact Mass553.24
IUPAC Name4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H32FN3O4/c34-27-8-5-24(6-9-27)32(39)25-15-17-37(18-16-25)33(40)26-7-14-30(36-21-26)31(38)19-22-1-10-28(11-2-22)41-29-12-3-23(20-35)4-13-29/h3-9,12-14,21-22,25,28H,1-2,10-11,15-19H2
InChIKeyYASWFWJHNVDSKV-UHFFFAOYSA-N
XLogP6.04
TPSA100.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.63
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile?
The IUPAC name of 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile (CID 58073476) is 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile?
The canonical SMILES for 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile is N#Cc1ccc(OC2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile?
The InChIKey is YASWFWJHNVDSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O4/c34-27-8-5-24(6-9-27)32(39)25-15-17-37(18-16-25)33(40)26-7-14-30(36-21-26)31(38)19-22-1-10-28(11-2-22)41-29-12-3-23(20-35)4-13-29/h3-9,12-14,21-22,25,28H,1-2,10-11,15-19H2.
What are the key properties of 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile?
4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile has a molecular weight of 553.63 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 58073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).