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

C12H16N4O2S — CID 752300

IUPAC1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ncccn2)CC1
InChIInChI=1S/C12H16N4O2S/c13-11(18)9-2-6-16(7-3-9)10(17)8-19-12-14-4-1-5-15-12/h1,4-5,9H,2-3,6-8H2,(H2,13,18)
InChIKeyLFDOMOIGNPAWLN-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.29
Rot. Bonds4

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

1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide (PubChem CID 752300) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide
PubChem CID752300
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2ncccn2)CC1
InChIInChI=1S/C12H16N4O2S/c13-11(18)9-2-6-16(7-3-9)10(17)8-19-12-14-4-1-5-15-12/h1,4-5,9H,2-3,6-8H2,(H2,13,18)
InChIKeyLFDOMOIGNPAWLN-UHFFFAOYSA-N
XLogP0.29
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-N-(cyanomethyl)-2-[(pyrimidin-2-ylsulfanyl)methyl]cyclohexane-1-carboxamide
CID 10308326
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 646575
1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
1-(Azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 2436244
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2474912
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
N-cyclohexyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 711869
N-(1-cyanocyclohexyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 4819460
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide (CID 752300) is 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSc2ncccn2)CC1.
What is the InChIKey of 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
The InChIKey is LFDOMOIGNPAWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-11(18)9-2-6-16(7-3-9)10(17)8-19-12-14-4-1-5-15-12/h1,4-5,9H,2-3,6-8H2,(H2,13,18).
What are the key properties of 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide?
1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrimidin-2-ylsulfanylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 752300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).