[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

C23H26FN3O3 — CID 24610437

IUPAC[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H26FN3O3/c24-19-6-10-21(11-7-19)30-20-8-4-18(5-9-20)22(28)25-14-16-27(17-15-25)23(29)26-12-2-1-3-13-26/h4-11H,1-3,12-17H2
InChIKeyNHBCUCNUHGAUHK-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.98
Rot. Bonds3

About [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 24610437) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID24610437
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H26FN3O3/c24-19-6-10-21(11-7-19)30-20-8-4-18(5-9-20)22(28)25-14-16-27(17-15-25)23(29)26-12-2-1-3-13-26/h4-11H,1-3,12-17H2
InChIKeyNHBCUCNUHGAUHK-UHFFFAOYSA-N
XLogP3.98
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(4-fluorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112824763
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
4-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenoxy]benzamide
CID 56546017
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 18169368

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 24610437) is [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NHBCUCNUHGAUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c24-19-6-10-21(11-7-19)30-20-8-4-18(5-9-20)22(28)25-14-16-27(17-15-25)23(29)26-12-2-1-3-13-26/h4-11H,1-3,12-17H2.
What are the key properties of [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 411.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24610437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).