N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

C17H32ClN3O3S — CID 120888645

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCOCC1(CNC(=O)CSCC(=O)N2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C17H31N3O3S.ClH/c1-23-14-17(5-7-18-8-6-17)13-19-15(21)11-24-12-16(22)20-9-3-2-4-10-20;/h18H,2-14H2,1H3,(H,19,21);1H
InChIKeyYINHXDCUQIZUCD-UHFFFAOYSA-N
MW393.98 g/mol
LogP1.29
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (PubChem CID 120888645) has the molecular formula C17H32ClN3O3S and a molecular weight of 393.98 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
PubChem CID120888645
Molecular FormulaC17H32ClN3O3S
Molecular Weight393.98 g/mol
Exact Mass393.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
SMILESCOCC1(CNC(=O)CSCC(=O)N2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C17H31N3O3S.ClH/c1-23-14-17(5-7-18-8-6-17)13-19-15(21)11-24-12-16(22)20-9-3-2-4-10-20;/h18H,2-14H2,1H3,(H,19,21);1H
InChIKeyYINHXDCUQIZUCD-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.98
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;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-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 120888945
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186
1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120887299
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120891396
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-prop-2-enoxyacetamide
CID 120891445

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride (CID 120888645) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is COCC1(CNC(=O)CSCC(=O)N2CCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
The InChIKey is YINHXDCUQIZUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S.ClH/c1-23-14-17(5-7-18-8-6-17)13-19-15(21)11-24-12-16(22)20-9-3-2-4-10-20;/h18H,2-14H2,1H3,(H,19,21);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride has a molecular weight of 393.98 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 120888645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).