2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride

C18H22ClF3N2O2 — CID 119787926

IUPAC2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C18H21F3N2O2.ClH/c19-12-8-14(20)17(15(21)9-12)18(25)11-3-6-23(7-4-11)16(24)10-13-2-1-5-22-13;/h8-9,11,13,22H,1-7,10H2;1H
InChIKeyLSTOQPWTWHZVHS-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.09
Rot. Bonds4

About 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride

2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119787926) has the molecular formula C18H22ClF3N2O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119787926
Molecular FormulaC18H22ClF3N2O2
Molecular Weight390.83 g/mol
Exact Mass390.13
IUPAC Name2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C18H21F3N2O2.ClH/c19-12-8-14(20)17(15(21)9-12)18(25)11-3-6-23(7-4-11)16(24)10-13-2-1-5-22-13;/h8-9,11,13,22H,1-7,10H2;1H
InChIKeyLSTOQPWTWHZVHS-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119734575
1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
CID 56790869
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
CID 119787917
1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771317
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119787931
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride (CID 119787926) is 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride is Cl.O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is LSTOQPWTWHZVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2.ClH/c19-12-8-14(20)17(15(21)9-12)18(25)11-3-6-23(7-4-11)16(24)10-13-2-1-5-22-13;/h8-9,11,13,22H,1-7,10H2;1H.
What are the key properties of 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride?
2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 390.83 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119787926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).