1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide

C13H17N3O2S — CID 718972

IUPAC1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ccccn2)CC1
InChIInChI=1S/C13H17N3O2S/c14-13(18)10-4-7-16(8-5-10)12(17)9-19-11-3-1-2-6-15-11/h1-3,6,10H,4-5,7-9H2,(H2,14,18)
InChIKeyZMBJISZBTDLJMG-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.90
Rot. Bonds4

About 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide

1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide (PubChem CID 718972) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide
PubChem CID718972
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ccccn2)CC1
InChIInChI=1S/C13H17N3O2S/c14-13(18)10-4-7-16(8-5-10)12(17)9-19-11-3-1-2-6-15-11/h1-3,6,10H,4-5,7-9H2,(H2,14,18)
InChIKeyZMBJISZBTDLJMG-UHFFFAOYSA-N
XLogP0.90
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
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CID 2341621
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2342408
1-(Azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2342507
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
2-(5-Piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide
CID 7759315
N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
CID 8813525
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
2-(4-Morpholinyl)-2-oxoethyl 2-pyridinyl sulfide
CID 592408
4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one
CID 658844

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide (CID 718972) is 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSc2ccccn2)CC1.
What is the InChIKey of 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The InChIKey is ZMBJISZBTDLJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-13(18)10-4-7-16(8-5-10)12(17)9-19-11-3-1-2-6-15-11/h1-3,6,10H,4-5,7-9H2,(H2,14,18).
What are the key properties of 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylsulfanylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 718972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).