N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

C16H23F2N3O3S — CID 119499390

IUPACN-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(N)CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-11(19)4-7-20-16(22)12-5-8-21(9-6-12)25(23,24)15-10-13(17)2-3-14(15)18/h2-3,10-12H,4-9,19H2,1H3,(H,20,22)
InChIKeyINNLBTWMCXSPLV-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.22
Rot. Bonds6

About N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 119499390) has the molecular formula C16H23F2N3O3S and a molecular weight of 375.44 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID119499390
Molecular FormulaC16H23F2N3O3S
Molecular Weight375.44 g/mol
Exact Mass375.14
IUPAC NameN-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(N)CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H23F2N3O3S/c1-11(19)4-7-20-16(22)12-5-8-21(9-6-12)25(23,24)15-10-13(17)2-3-14(15)18/h2-3,10-12H,4-9,19H2,1H3,(H,20,22)
InChIKeyINNLBTWMCXSPLV-UHFFFAOYSA-N
XLogP1.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.22
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
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 17018176
N-(3-aminobutyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119495981
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
N-(3-aminobutyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119495455
1-(2,5-difluorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 55407382
N-[3-(4-chloro-2-methylphenoxy)propyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60578837

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 119499390) is N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is CC(N)CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is INNLBTWMCXSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S/c1-11(19)4-7-20-16(22)12-5-8-21(9-6-12)25(23,24)15-10-13(17)2-3-14(15)18/h2-3,10-12H,4-9,19H2,1H3,(H,20,22).
What are the key properties of N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119499390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).