1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone

C19H22N2OS — CID 119372814

IUPAC1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESNC1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c20-16-11-13-21(14-12-16)19(22)18(15-7-3-1-4-8-15)23-17-9-5-2-6-10-17/h1-10,16,18H,11-14,20H2
InChIKeyVWNIWJBWGNJQEE-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone

1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone (PubChem CID 119372814) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
PubChem CID119372814
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
SMILESNC1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c20-16-11-13-21(14-12-16)19(22)18(15-7-3-1-4-8-15)23-17-9-5-2-6-10-17/h1-10,16,18H,11-14,20H2
InChIKeyVWNIWJBWGNJQEE-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119409196
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone;hydrochloride
CID 119483222
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
CID 119374247
1-[4-(aminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119423291
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
N-(4-aminocyclohexyl)-2-phenyl-2-phenylsulfanylacetamide
CID 119474355
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 60558203
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
3-fluoro-1-(2-phenyl-2-phenylsulfanylacetyl)pyrrolidine-3-carboxylic acid
CID 119258661
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119411280
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone (CID 119372814) is 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone is NC1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is VWNIWJBWGNJQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c20-16-11-13-21(14-12-16)19(22)18(15-7-3-1-4-8-15)23-17-9-5-2-6-10-17/h1-10,16,18H,11-14,20H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone?
1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 326.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 119372814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).