4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide

C17H22F2N2O3S — CID 164639229

IUPAC4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(c2c(F)cccc2F)CC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H22F2N2O3S/c1-20(13-7-10-25(23,24)11-13)17(22)21-8-5-12(6-9-21)16-14(18)3-2-4-15(16)19/h2-4,12-13H,5-11H2,1H3/t13-/m0/s1
InChIKeyHWYCSCBTALBFFJ-ZDUSSCGKSA-N
MW372.44 g/mol
LogP2.38
Rot. Bonds2

About 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide

4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 164639229) has the molecular formula C17H22F2N2O3S and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID164639229
Molecular FormulaC17H22F2N2O3S
Molecular Weight372.44 g/mol
Exact Mass372.13
IUPAC Name4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CCC(c2c(F)cccc2F)CC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H22F2N2O3S/c1-20(13-7-10-25(23,24)11-13)17(22)21-8-5-12(6-9-21)16-14(18)3-2-4-15(16)19/h2-4,12-13H,5-11H2,1H3/t13-/m0/s1
InChIKeyHWYCSCBTALBFFJ-ZDUSSCGKSA-N
XLogP2.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide with MolForge

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Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
1-(4-(3,4-Difluorophenyl)piperidin-1-yl)-3-methanesulfonylpropan-1-one
CID 75369734
1-(1,1-Dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
CID 47016194
1-[(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)carbonyl]-3-(4-fluorophenyl)pyrrolidine
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(4aS*,7aR*)-N-[2-(4-fluorophenyl)ethyl]-4-methylhexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70727326
(4aR*,7aS*)-N,N-dimethyl-4-(3-phenylpropyl)hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70747546
N-(tert-butyl)-4-(((2,5-difluorophenyl)methylsulfonamido)methyl)piperidine-1-carboxamide
CID 71796758
3-[2-(2,3-Difluorophenyl)ethyl]-1-ethyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136391
3-[2-(2,3-Difluorophenyl)ethyl]-1-(1-ethylsulfonylpropan-2-yl)-1-methylurea
CID 84583970
2-(1,1-dioxidotetrahydro-3-thienyl)-N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylacetamide
CID 45177259
1-[1-(3,4-Difluorophenyl)ethyl]-3-[(1,1-dioxothiolan-3-yl)methyl]-1-methylurea
CID 51077534
1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide (CID 164639229) is 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide is CN(C(=O)N1CCC(c2c(F)cccc2F)CC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is HWYCSCBTALBFFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F2N2O3S/c1-20(13-7-10-25(23,24)11-13)17(22)21-8-5-12(6-9-21)16-14(18)3-2-4-15(16)19/h2-4,12-13H,5-11H2,1H3/t13-/m0/s1.
What are the key properties of 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide?
4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164639229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).