1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide

C12H16N4O3S — CID 9144230

IUPAC1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O3S/c13-11(19)8-2-5-16(6-3-8)10(18)7-20-12-14-4-1-9(17)15-12/h1,4,8H,2-3,5-7H2,(H2,13,19)(H,14,15,17)
InChIKeyBGACOQLXLHWZQC-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.41
Rot. Bonds4

About 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide

1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide (PubChem CID 9144230) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide
PubChem CID9144230
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CSc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O3S/c13-11(19)8-2-5-16(6-3-8)10(18)7-20-12-14-4-1-9(17)15-12/h1,4,8H,2-3,5-7H2,(H2,13,19)(H,14,15,17)
InChIKeyBGACOQLXLHWZQC-UHFFFAOYSA-N
XLogP-0.41
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[(4,6-Dihydroxypyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 1845941
1-{[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 135413620
2-(6-Amino-4-hydroxypyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 135447409
4-amino-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135457190
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
2-[2-(Piperidin-1-yl)ethyl]thiopyrimidin-4(3h)-one
CID 110379577
2-(4-Hydroxypyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 860106
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyrimidin-4(3H)-one
CID 860107
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxamide
CID 2419349
1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 4464689
methyl 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 9143584
2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 9143716

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide (CID 9144230) is 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CSc2nccc(=O)[nH]2)CC1.
What is the InChIKey of 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
The InChIKey is BGACOQLXLHWZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c13-11(19)8-2-5-16(6-3-8)10(18)7-20-12-14-4-1-9(17)15-12/h1,4,8H,2-3,5-7H2,(H2,13,19)(H,14,15,17).
What are the key properties of 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide?
1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide has a molecular weight of 296.35 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 9144230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).