N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide

C14H25N3O2S — CID 114627230

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCCC(=O)N1CCCC1
InChIInChI=1S/C14H25N3O2S/c18-13(11-20-12-3-6-15-7-4-12)16-8-5-14(19)17-9-1-2-10-17/h12,15H,1-11H2,(H,16,18)
InChIKeyRGSQRGLSFUNXPS-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.60
Rot. Bonds6

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627230) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627230
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCCC(=O)N1CCCC1
InChIInChI=1S/C14H25N3O2S/c18-13(11-20-12-3-6-15-7-4-12)16-8-5-14(19)17-9-1-2-10-17/h12,15H,1-11H2,(H,16,18)
InChIKeyRGSQRGLSFUNXPS-UHFFFAOYSA-N
XLogP0.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
CID 106235677
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61366260
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
CID 119761927
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
CID 114626929
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627230) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is RGSQRGLSFUNXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c18-13(11-20-12-3-6-15-7-4-12)16-8-5-14(19)17-9-1-2-10-17/h12,15H,1-11H2,(H,16,18).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 299.44 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).