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

C16H20ClF2N3O2 — CID 119771195

IUPAC[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C16H19F2N3O2.ClH/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;1H
InChIKeyDXXDXSPTHJAARG-UHFFFAOYSA-N
MW359.80 g/mol
LogP1.28
Rot. Bonds2

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

[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119771195) has the molecular formula C16H20ClF2N3O2 and a molecular weight of 359.80 g/mol. Its IUPAC name is [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119771195
Molecular FormulaC16H20ClF2N3O2
Molecular Weight359.80 g/mol
Exact Mass359.12
IUPAC Name[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1F)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C16H19F2N3O2.ClH/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;1H
InChIKeyDXXDXSPTHJAARG-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[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
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[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
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119888948
[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

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 119771195) is [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is Cl.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;hydrochloride?
The InChIKey is DXXDXSPTHJAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2.ClH/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;1H.
What are the key properties of [4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 359.80 g/mol, XLogP of 1.28, 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;hydrochloride is sourced from PubChem (CID 119771195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).