[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C28H34F2N4O2 — CID 42881342

IUPAC[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)CC1
InChIInChI=1S/C28H34F2N4O2/c29-23-7-5-21(6-8-23)27(35)33-15-11-24(12-16-33)31-13-9-22(10-14-31)28(36)34-19-17-32(18-20-34)26-4-2-1-3-25(26)30/h1-8,22,24H,9-20H2
InChIKeyXRZDNKLEISALLP-UHFFFAOYSA-N
MW496.60 g/mol
LogP3.63
Rot. Bonds4

About [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 42881342) has the molecular formula C28H34F2N4O2 and a molecular weight of 496.60 g/mol. Its IUPAC name is [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID42881342
Molecular FormulaC28H34F2N4O2
Molecular Weight496.60 g/mol
Exact Mass496.26
IUPAC Name[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)CC1
InChIInChI=1S/C28H34F2N4O2/c29-23-7-5-21(6-8-23)27(35)33-15-11-24(12-16-33)31-13-9-22(10-14-31)28(36)34-19-17-32(18-20-34)26-4-2-1-3-25(26)30/h1-8,22,24H,9-20H2
InChIKeyXRZDNKLEISALLP-UHFFFAOYSA-N
XLogP3.63
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369235
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405547
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 42881342) is [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)CC1.
What is the InChIKey of [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XRZDNKLEISALLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N4O2/c29-23-7-5-21(6-8-23)27(35)33-15-11-24(12-16-33)31-13-9-22(10-14-31)28(36)34-19-17-32(18-20-34)26-4-2-1-3-25(26)30/h1-8,22,24H,9-20H2.
What are the key properties of [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 496.60 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42881342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).