2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride

C18H28ClN3O2S — CID 119436652

IUPAC2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CSCC(=O)N2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-13-6-8-15(9-7-13)20-17(22)11-24-12-18(23)21-10-4-3-5-16(21)14(2)19;/h6-9,14,16H,3-5,10-12,19H2,1-2H3,(H,20,22);1H
InChIKeyPUQPCSOPUHPCLY-UHFFFAOYSA-N
MW385.96 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride

2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 119436652) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID119436652
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC Name2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CSCC(=O)N2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-13-6-8-15(9-7-13)20-17(22)11-24-12-18(23)21-10-4-3-5-16(21)14(2)19;/h6-9,14,16H,3-5,10-12,19H2,1-2H3,(H,20,22);1H
InChIKeyPUQPCSOPUHPCLY-UHFFFAOYSA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride 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-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51151586
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119437112
(2R,3R)-2-methyl-1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxylic acid
CID 122114902
1-[2-(1-aminoethyl)piperidin-1-yl]-2-propylsulfanylethanone;hydrochloride
CID 119435761
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119435335
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 119435336
2-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 32906737
N-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide;hydrochloride
CID 119435206
2-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 36673962
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
N-(4-methylphenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39162201
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride (CID 119436652) is 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CSCC(=O)N2CCCCC2C(C)N)cc1.Cl.
What is the InChIKey of 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is PUQPCSOPUHPCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.ClH/c1-13-6-8-15(9-7-13)20-17(22)11-24-12-18(23)21-10-4-3-5-16(21)14(2)19;/h6-9,14,16H,3-5,10-12,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride?
2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 385.96 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119436652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).