1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

C35H40FN5O3 — CID 46879509

IUPAC1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(F)cc5)c4)CC3)CC2)CC1
InChIInChI=1S/C35H40FN5O3/c1-25(42)38-15-11-28(12-16-38)34(43)40-17-13-31(14-18-40)39-19-21-41(22-20-39)35(44)29-23-32(26-5-3-2-4-6-26)37-33(24-29)27-7-9-30(36)10-8-27/h2-10,23-24,28,31H,11-22H2,1H3
InChIKeyCPNLFIHZBCHUQT-UHFFFAOYSA-N
MW597.74 g/mol
LogP4.56
Rot. Bonds5

About 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 46879509) has the molecular formula C35H40FN5O3 and a molecular weight of 597.74 g/mol. Its IUPAC name is 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID46879509
Molecular FormulaC35H40FN5O3
Molecular Weight597.74 g/mol
Exact Mass597.31
IUPAC Name1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(F)cc5)c4)CC3)CC2)CC1
InChIInChI=1S/C35H40FN5O3/c1-25(42)38-15-11-28(12-16-38)34(43)40-17-13-31(14-18-40)39-19-21-41(22-20-39)35(44)29-23-32(26-5-3-2-4-6-26)37-33(24-29)27-7-9-30(36)10-8-27/h2-10,23-24,28,31H,11-22H2,1H3
InChIKeyCPNLFIHZBCHUQT-UHFFFAOYSA-N
XLogP4.56
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.74
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone 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 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 46879509) is 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(F)cc5)c4)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CPNLFIHZBCHUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40FN5O3/c1-25(42)38-15-11-28(12-16-38)34(43)40-17-13-31(14-18-40)39-19-21-41(22-20-39)35(44)29-23-32(26-5-3-2-4-6-26)37-33(24-29)27-7-9-30(36)10-8-27/h2-10,23-24,28,31H,11-22H2,1H3.
What are the key properties of 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 597.74 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[2-(4-fluorophenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46879509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).