[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone

C25H26F2N2O3 — CID 38175445

IUPAC[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C25H26F2N2O3/c26-20-6-7-21(22(27)16-20)25(32)29-14-10-19(11-15-29)24(31)28-12-8-18(9-13-28)23(30)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2
InChIKeyGFGQGQZHZOFKAL-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.94
Rot. Bonds4

About [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone

[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone (PubChem CID 38175445) has the molecular formula C25H26F2N2O3 and a molecular weight of 440.49 g/mol. Its IUPAC name is [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
PubChem CID38175445
Molecular FormulaC25H26F2N2O3
Molecular Weight440.49 g/mol
Exact Mass440.19
IUPAC Name[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C25H26F2N2O3/c26-20-6-7-21(22(27)16-20)25(32)29-14-10-19(11-15-29)24(31)28-12-8-18(9-13-28)23(30)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2
InChIKeyGFGQGQZHZOFKAL-UHFFFAOYSA-N
XLogP3.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55879784
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone (CID 38175445) is [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is GFGQGQZHZOFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O3/c26-20-6-7-21(22(27)16-20)25(32)29-14-10-19(11-15-29)24(31)28-12-8-18(9-13-28)23(30)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2.
What are the key properties of [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone?
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 440.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 38175445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).