N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

C14H27N3OS — CID 114627369

IUPACN-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCN1CCC(CNC(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C14H27N3OS/c1-17-8-4-12(5-9-17)10-16-14(18)11-19-13-2-6-15-7-3-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyPQLCGRUVRQEIOK-UHFFFAOYSA-N
MW285.46 g/mol
LogP0.93
Rot. Bonds5

About N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627369) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627369
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCN1CCC(CNC(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C14H27N3OS/c1-17-8-4-12(5-9-17)10-16-14(18)11-19-13-2-6-15-7-3-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyPQLCGRUVRQEIOK-UHFFFAOYSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide 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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627762
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 54927931
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
CID 114626598
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627369) is N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is CN1CCC(CNC(=O)CSC2CCNCC2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is PQLCGRUVRQEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-17-8-4-12(5-9-17)10-16-14(18)11-19-13-2-6-15-7-3-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 285.46 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).