1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide

C19H27F2N3O4S — CID 55665895

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H27F2N3O4S/c1-12(2)10-16(19(26)22-3)23-18(25)13-6-8-24(9-7-13)29(27,28)17-11-14(20)4-5-15(17)21/h4-5,11-13,16H,6-10H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyWZFWNVDJGRPWAZ-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.64
Rot. Bonds7

About 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide (PubChem CID 55665895) has the molecular formula C19H27F2N3O4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
PubChem CID55665895
Molecular FormulaC19H27F2N3O4S
Molecular Weight431.51 g/mol
Exact Mass431.17
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H27F2N3O4S/c1-12(2)10-16(19(26)22-3)23-18(25)13-6-8-24(9-7-13)29(27,28)17-11-14(20)4-5-15(17)21/h4-5,11-13,16H,6-10H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyWZFWNVDJGRPWAZ-UHFFFAOYSA-N
XLogP1.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134058743
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55665837
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
N-[(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 41356873
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide (CID 55665895) is 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide?
The InChIKey is WZFWNVDJGRPWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O4S/c1-12(2)10-16(19(26)22-3)23-18(25)13-6-8-24(9-7-13)29(27,28)17-11-14(20)4-5-15(17)21/h4-5,11-13,16H,6-10H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55665895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).