1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one

C16H23N3O2S — CID 178004281

IUPAC1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one
SMILESNC1CCN(S(=O)c2cccc(N3CCC(=O)CC3)c2)CC1
InChIInChI=1S/C16H23N3O2S/c17-13-4-10-19(11-5-13)22(21)16-3-1-2-14(12-16)18-8-6-15(20)7-9-18/h1-3,12-13H,4-11,17H2
InChIKeyZNKOGECPJZMBHF-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.30
Rot. Bonds3

About 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one

1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one (PubChem CID 178004281) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one
PubChem CID178004281
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one
SMILESNC1CCN(S(=O)c2cccc(N3CCC(=O)CC3)c2)CC1
InChIInChI=1S/C16H23N3O2S/c17-13-4-10-19(11-5-13)22(21)16-3-1-2-14(12-16)18-8-6-15(20)7-9-18/h1-3,12-13H,4-11,17H2
InChIKeyZNKOGECPJZMBHF-UHFFFAOYSA-N
XLogP1.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)pyrrolidin-3-one
CID 115014711
1-[3-(difluoromethoxy)phenyl]piperidin-4-one
CID 121456125
1-(3-cyclobutylphenyl)piperidin-4-amine
CID 114605607
6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 14627677
1-(4-methylphenyl)sulfinylpiperidin-4-one
CID 143482255
4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
CID 114762012
5-[3-[3-(4-aminopiperidin-1-yl)sulfinylphenoxy]azetidin-1-yl]-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 178004803
1-(3,4-dimethylphenyl)piperidin-4-one
CID 24690157
1-(4-amino-3-methylphenyl)piperidin-4-one
CID 58962442
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
3-[4-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)piperidin-1-yl]benzenesulfinic acid
CID 178004237
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one (CID 178004281) is 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one is NC1CCN(S(=O)c2cccc(N3CCC(=O)CC3)c2)CC1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one?
The InChIKey is ZNKOGECPJZMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c17-13-4-10-19(11-5-13)22(21)16-3-1-2-14(12-16)18-8-6-15(20)7-9-18/h1-3,12-13H,4-11,17H2.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one?
1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one has a molecular weight of 321.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidin-1-yl)sulfinylphenyl]piperidin-4-one is sourced from PubChem (CID 178004281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).