cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone

C17H20F2N2O2 — CID 110801627

IUPACcyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H20F2N2O2/c18-13-5-6-14(15(19)11-13)17(23)21-9-7-20(8-10-21)16(22)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2
InChIKeyKVQXNQPSAVJWBB-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.44
Rot. Bonds2

About cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone

cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 110801627) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.35 g/mol. Its IUPAC name is cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
PubChem CID110801627
Molecular FormulaC17H20F2N2O2
Molecular Weight322.35 g/mol
Exact Mass322.15
IUPAC Namecyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C17H20F2N2O2/c18-13-5-6-14(15(19)11-13)17(23)21-9-7-20(8-10-21)16(22)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2
InChIKeyKVQXNQPSAVJWBB-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

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119771195
[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
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120630519
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 119316312
cyclopentyl-[4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797846
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone (CID 110801627) is cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is KVQXNQPSAVJWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-13-5-6-14(15(19)11-13)17(23)21-9-7-20(8-10-21)16(22)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10H2.
What are the key properties of cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone 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 cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110801627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).