1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone

C13H17ClN2OS — CID 119379820

IUPAC1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
SMILESNC1CCCN(C(=O)CSc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2OS/c14-10-3-5-12(6-4-10)18-9-13(17)16-7-1-2-11(15)8-16/h3-6,11H,1-2,7-9,15H2
InChIKeyQYIXYBIQESKSQL-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone

1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone (PubChem CID 119379820) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
PubChem CID119379820
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
SMILESNC1CCCN(C(=O)CSc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2OS/c14-10-3-5-12(6-4-10)18-9-13(17)16-7-1-2-11(15)8-16/h3-6,11H,1-2,7-9,15H2
InChIKeyQYIXYBIQESKSQL-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone 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

1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone
CID 119378981
1-(3-aminopiperidin-1-yl)-2-(2,5-dichlorophenyl)sulfanylethanone;hydrochloride
CID 119378980
2-(4-chlorophenyl)sulfanyl-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775210
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
1-(3-aminopiperidin-1-yl)-2-(8-chloronaphthalen-1-yl)sulfanylethanone
CID 119377684
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196
(E)-1-[(3R)-3-aminopiperidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 102978536
2-[1-[2-(4-bromophenyl)sulfanylacetyl]piperidin-3-yl]acetic acid
CID 62690236
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828
4-(4-chlorophenyl)sulfanyl-1-(3-methylpiperidin-1-yl)butan-1-one
CID 112762882
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone (CID 119379820) is 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone is NC1CCCN(C(=O)CSc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
The InChIKey is QYIXYBIQESKSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-10-3-5-12(6-4-10)18-9-13(17)16-7-1-2-11(15)8-16/h3-6,11H,1-2,7-9,15H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone?
1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone has a molecular weight of 284.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone is sourced from PubChem (CID 119379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).