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

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
N-[(4-methylmorpholin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627762
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
CID 63896562
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
1-(2,4-dimethylpiperazin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114085746

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).