[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride

C17H25ClFN3O3S — CID 120737317

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCNCC2c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C17H24FN3O3S.ClH/c1-25(23,24)20-8-5-13(6-9-20)17(22)21-10-7-19-12-16(21)14-3-2-4-15(18)11-14;/h2-4,11,13,16,19H,5-10,12H2,1H3;1H
InChIKeyMSUKQPFOOUVAKR-UHFFFAOYSA-N
MW405.92 g/mol
LogP1.39
Rot. Bonds3

About [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride

[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 120737317) has the molecular formula C17H25ClFN3O3S and a molecular weight of 405.92 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
PubChem CID120737317
Molecular FormulaC17H25ClFN3O3S
Molecular Weight405.92 g/mol
Exact Mass405.13
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCNCC2c2cccc(F)c2)CC1.Cl
InChIInChI=1S/C17H24FN3O3S.ClH/c1-25(23,24)20-8-5-13(6-9-20)17(22)21-10-7-19-12-16(21)14-3-2-4-15(18)11-14;/h2-4,11,13,16,19H,5-10,12H2,1H3;1H
InChIKeyMSUKQPFOOUVAKR-UHFFFAOYSA-N
XLogP1.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride (CID 120737317) is [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride is CS(=O)(=O)N1CCC(C(=O)N2CCNCC2c2cccc(F)c2)CC1.Cl.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is MSUKQPFOOUVAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S.ClH/c1-25(23,24)20-8-5-13(6-9-20)17(22)21-10-7-19-12-16(21)14-3-2-4-15(18)11-14;/h2-4,11,13,16,19H,5-10,12H2,1H3;1H.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride?
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 405.92 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120737317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).