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

C17H20F2N2O2 — CID 78803342

IUPAC[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H20F2N2O2/c18-13-3-4-14(15(19)11-13)17(23)21-9-5-12(6-10-21)16(22)20-7-1-2-8-20/h3-4,11-12H,1-2,5-10H2
InChIKeyPMAMWFORETVTBU-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.44
Rot. Bonds2

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

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 78803342) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.35 g/mol. Its IUPAC name is [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID78803342
Molecular FormulaC17H20F2N2O2
Molecular Weight322.35 g/mol
Exact Mass322.15
IUPAC Name[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H20F2N2O2/c18-13-3-4-14(15(19)11-13)17(23)21-9-5-12(6-10-21)16(22)20-7-1-2-8-20/h3-4,11-12H,1-2,5-10H2
InChIKeyPMAMWFORETVTBU-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
[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
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119594478
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396579
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
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
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 78803342) is [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PMAMWFORETVTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-13-3-4-14(15(19)11-13)17(23)21-9-5-12(6-10-21)16(22)20-7-1-2-8-20/h3-4,11-12H,1-2,5-10H2.
What are the key properties of [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 322.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 78803342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).