[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride

C16H20ClF2N3O3 — CID 119756686

IUPAC[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1F)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C16H19F2N3O3.ClH/c17-11-2-1-3-12(18)14(11)16(24)21-6-4-20(5-7-21)15(23)13-8-10(22)9-19-13;/h1-3,10,13,19,22H,4-9H2;1H
InChIKeyLQYFCKDTECLXPT-UHFFFAOYSA-N
MW375.80 g/mol
LogP0.39
Rot. Bonds2

About [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride (PubChem CID 119756686) has the molecular formula C16H20ClF2N3O3 and a molecular weight of 375.80 g/mol. Its IUPAC name is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
PubChem CID119756686
Molecular FormulaC16H20ClF2N3O3
Molecular Weight375.80 g/mol
Exact Mass375.12
IUPAC Name[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1c(F)cccc1F)N1CCN(C(=O)C2CC(O)CN2)CC1
InChIInChI=1S/C16H19F2N3O3.ClH/c17-11-2-1-3-12(18)14(11)16(24)21-6-4-20(5-7-21)15(23)13-8-10(22)9-19-13;/h1-3,10,13,19,22H,4-9H2;1H
InChIKeyLQYFCKDTECLXPT-UHFFFAOYSA-N
XLogP0.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119756635
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119747793
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2,6-difluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119307949
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119747850
2-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182884
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119831321
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119877516
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride (CID 119756686) is [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride is Cl.O=C(c1c(F)cccc1F)N1CCN(C(=O)C2CC(O)CN2)CC1.
What is the InChIKey of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
The InChIKey is LQYFCKDTECLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3.ClH/c17-11-2-1-3-12(18)14(11)16(24)21-6-4-20(5-7-21)15(23)13-8-10(22)9-19-13;/h1-3,10,13,19,22H,4-9H2;1H.
What are the key properties of [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride?
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride has a molecular weight of 375.80 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119756686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).