N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide

C13H23N3O2S — CID 114628005

IUPACN-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)CSC2CCNCC2)C1
InChIInChI=1S/C13H23N3O2S/c1-10(17)15-11-4-7-16(8-11)13(18)9-19-12-2-5-14-6-3-12/h11-12,14H,2-9H2,1H3,(H,15,17)
InChIKeyPAFOYBUMTJOLBX-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.21
Rot. Bonds4

About N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide

N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide (PubChem CID 114628005) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
PubChem CID114628005
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)CSC2CCNCC2)C1
InChIInChI=1S/C13H23N3O2S/c1-10(17)15-11-4-7-16(8-11)13(18)9-19-12-2-5-14-6-3-12/h11-12,14H,2-9H2,1H3,(H,15,17)
InChIKeyPAFOYBUMTJOLBX-UHFFFAOYSA-N
XLogP0.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114678293
N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide
CID 114626952
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114627527
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylsulfanylethanone
CID 114626671
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
CID 114626929
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634
2-(2-piperidin-4-ylsulfanylacetyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 114627951
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide (CID 114628005) is N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)CSC2CCNCC2)C1.
What is the InChIKey of N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PAFOYBUMTJOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(17)15-11-4-7-16(8-11)13(18)9-19-12-2-5-14-6-3-12/h11-12,14H,2-9H2,1H3,(H,15,17).
What are the key properties of N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide has a molecular weight of 285.41 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 114628005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).