[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

C16H19F2N3O2 — CID 119771196

IUPAC[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C16H19F2N3O2/c17-12-1-2-13(14(18)9-12)16(23)21-7-5-20(6-8-21)15(22)11-3-4-19-10-11/h1-2,9,11,19H,3-8,10H2
InChIKeyBLEROORMJOYCRG-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.86
Rot. Bonds2

About [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119771196) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119771196
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C16H19F2N3O2/c17-12-1-2-13(14(18)9-12)16(23)21-7-5-20(6-8-21)15(22)11-3-4-19-10-11/h1-2,9,11,19H,3-8,10H2
InChIKeyBLEROORMJOYCRG-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120630519
[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119316403
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55879784
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119787931
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (CID 119771196) is [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is O=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is BLEROORMJOYCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-12-1-2-13(14(18)9-12)16(23)21-7-5-20(6-8-21)15(22)11-3-4-19-10-11/h1-2,9,11,19H,3-8,10H2.
What are the key properties of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 323.34 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119771196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).