[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone

C19H17F3N2O3 — CID 38387477

IUPAC[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H17F3N2O3/c20-15-5-1-13(2-6-15)17(25)23-9-11-24(12-10-23)18(26)14-3-7-16(8-4-14)27-19(21)22/h1-8,19H,9-12H2
InChIKeyVBRJVLDNNOUURV-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.03
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone

[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 38387477) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID38387477
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H17F3N2O3/c20-15-5-1-13(2-6-15)17(25)23-9-11-24(12-10-23)18(26)14-3-7-16(8-4-14)27-19(21)22/h1-8,19H,9-12H2
InChIKeyVBRJVLDNNOUURV-UHFFFAOYSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
[4-(difluoromethoxy)phenyl]-[4-[(3R)-pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 124757608
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
[4-(chloromethyl)piperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 63397857
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108533738
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90653687
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 27757610

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone (CID 38387477) is [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is VBRJVLDNNOUURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-15-5-1-13(2-6-15)17(25)23-9-11-24(12-10-23)18(26)14-3-7-16(8-4-14)27-19(21)22/h1-8,19H,9-12H2.
What are the key properties of [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone?
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 378.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38387477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).