1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one

C14H19ClN2OS — CID 119376277

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccccc1Cl)C(=O)N1CCC(N)CC1
InChIInChI=1S/C14H19ClN2OS/c1-10(19-13-5-3-2-4-12(13)15)14(18)17-8-6-11(16)7-9-17/h2-5,10-11H,6-9,16H2,1H3
InChIKeyKSVDYPMAOBVIGD-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one (PubChem CID 119376277) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
PubChem CID119376277
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
SMILESCC(Sc1ccccc1Cl)C(=O)N1CCC(N)CC1
InChIInChI=1S/C14H19ClN2OS/c1-10(19-13-5-3-2-4-12(13)15)14(18)17-8-6-11(16)7-9-17/h2-5,10-11H,6-9,16H2,1H3
InChIKeyKSVDYPMAOBVIGD-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 55832752
2-(2-chlorophenyl)sulfanyl-1-(1,4-diazepan-1-yl)propan-1-one
CID 119417993
N-butyl-1-[2-(2-chlorophenyl)sulfanylpropanoyl]-N-methylpiperidine-4-carboxamide
CID 55949392
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119478329
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
(2S)-1-(6-azaspiro[3.4]octan-6-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 99707450
1-[2-(2-chlorophenyl)sulfanylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258110
ethyl 1-[2-(2-chlorophenyl)sulfanylpropanoyl]-4-(methoxymethyl)piperidine-4-carboxylate
CID 119050660
2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 43305442
1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 3859595
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119562178
2-(2-chlorophenyl)sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 55525651

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one (CID 119376277) is 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one is CC(Sc1ccccc1Cl)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one?
The InChIKey is KSVDYPMAOBVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-10(19-13-5-3-2-4-12(13)15)14(18)17-8-6-11(16)7-9-17/h2-5,10-11H,6-9,16H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one has a molecular weight of 298.84 g/mol, XLogP of 2.77, 3 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-(2-chlorophenyl)sulfanylpropan-1-one is sourced from PubChem (CID 119376277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).