1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone

C32H31F4N3O3 — CID 58073362

IUPAC1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cn1
InChIInChI=1S/C32H31F4N3O3/c33-25-13-21(14-26(34)17-25)19-38-9-5-20(6-10-38)15-30(40)29-4-2-24(18-37-29)32(42)39-11-7-22(8-12-39)31(41)23-1-3-27(35)28(36)16-23/h1-4,13-14,16-18,20,22H,5-12,15,19H2
InChIKeyFNOFUXKBBPCADR-UHFFFAOYSA-N
MW581.61 g/mol
LogP5.86
Rot. Bonds8

About 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone

1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone (PubChem CID 58073362) has the molecular formula C32H31F4N3O3 and a molecular weight of 581.61 g/mol. Its IUPAC name is 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
PubChem CID58073362
Molecular FormulaC32H31F4N3O3
Molecular Weight581.61 g/mol
Exact Mass581.23
IUPAC Name1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cn1
InChIInChI=1S/C32H31F4N3O3/c33-25-13-21(14-26(34)17-25)19-38-9-5-20(6-10-38)15-30(40)29-4-2-24(18-37-29)32(42)39-11-7-22(8-12-39)31(41)23-1-3-27(35)28(36)16-23/h1-4,13-14,16-18,20,22H,5-12,15,19H2
InChIKeyFNOFUXKBBPCADR-UHFFFAOYSA-N
XLogP5.86
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.61
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-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-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone (CID 58073362) is 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone is O=C(CC1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)c(F)c3)CC2)cn1.
What is the InChIKey of 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
The InChIKey is FNOFUXKBBPCADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N3O3/c33-25-13-21(14-26(34)17-25)19-38-9-5-20(6-10-38)15-30(40)29-4-2-24(18-37-29)32(42)39-11-7-22(8-12-39)31(41)23-1-3-27(35)28(36)16-23/h1-4,13-14,16-18,20,22H,5-12,15,19H2.
What are the key properties of 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone?
1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone has a molecular weight of 581.61 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3,4-difluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 58073362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).