[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

C17H21F2N3O3 — CID 119278786

IUPAC[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C17H21F2N3O3/c18-17(19)25-14-6-2-1-4-12(14)15(23)21-8-10-22(11-9-21)16(24)13-5-3-7-20-13/h1-2,4,6,13,17,20H,3,5,7-11H2
InChIKeyCSDIVXHLCGPOHJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.32
Rot. Bonds4

About [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119278786) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119278786
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C17H21F2N3O3/c18-17(19)25-14-6-2-1-4-12(14)15(23)21-8-10-22(11-9-21)16(24)13-5-3-7-20-13/h1-2,4,6,13,17,20H,3,5,7-11H2
InChIKeyCSDIVXHLCGPOHJ-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278777
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703712
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 51932724
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867

Frequently Asked Questions

What is the IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 119278786) is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is O=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is CSDIVXHLCGPOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c18-17(19)25-14-6-2-1-4-12(14)15(23)21-8-10-22(11-9-21)16(24)13-5-3-7-20-13/h1-2,4,6,13,17,20H,3,5,7-11H2.
What are the key properties of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 353.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119278786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).