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

C14H28N4OS — CID 114627592

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCN1CCN(C)C(CNC(=O)CSC2CCNCC2)C1
InChIInChI=1S/C14H28N4OS/c1-17-7-8-18(2)12(10-17)9-16-14(19)11-20-13-3-5-15-6-4-13/h12-13,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyMWFBVUJHSIRWFA-UHFFFAOYSA-N
MW300.47 g/mol
LogP-0.17
Rot. Bonds5

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627592) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627592
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCN1CCN(C)C(CNC(=O)CSC2CCNCC2)C1
InChIInChI=1S/C14H28N4OS/c1-17-7-8-18(2)12(10-17)9-16-14(19)11-20-13-3-5-15-6-4-13/h12-13,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyMWFBVUJHSIRWFA-UHFFFAOYSA-N
XLogP-0.17
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1,4-dimethylpiperazin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627592) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is CN1CCN(C)C(CNC(=O)CSC2CCNCC2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is MWFBVUJHSIRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-17-7-8-18(2)12(10-17)9-16-14(19)11-20-13-3-5-15-6-4-13/h12-13,15H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 300.47 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).