2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide

C13H25N3O2S — CID 114626915

IUPAC2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSC1CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-3-6-15-12(17)9-16(2)13(18)10-19-11-4-7-14-8-5-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyFMIWCXPPFNQCOR-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.46
Rot. Bonds7

About 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide

2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide (PubChem CID 114626915) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
PubChem CID114626915
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSC1CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-3-6-15-12(17)9-16(2)13(18)10-19-11-4-7-14-8-5-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyFMIWCXPPFNQCOR-UHFFFAOYSA-N
XLogP0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
CID 119913381
N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628092
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907
2-[ethyl(piperidin-4-ylmethyl)amino]-N-propylacetamide
CID 79716409
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
2-methyl-2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81222629
2-(3-aminoazetidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 65245071
3-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238288

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide (CID 114626915) is 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CSC1CCNCC1.
What is the InChIKey of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide?
The InChIKey is FMIWCXPPFNQCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-3-6-15-12(17)9-16(2)13(18)10-19-11-4-7-14-8-5-11/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide?
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide has a molecular weight of 287.43 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide is sourced from PubChem (CID 114626915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).