4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one

C14H14N4O3S — CID 136564190

IUPAC4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2c2cccs2)ncn1
InChIInChI=1S/C14H14N4O3S/c1-21-11-7-9(16-8-17-11)14(20)18-5-4-15-13(19)12(18)10-3-2-6-22-10/h2-3,6-8,12H,4-5H2,1H3,(H,15,19)
InChIKeyCMRCMLSIOPKLOD-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.86
Rot. Bonds3

About 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one

4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one (PubChem CID 136564190) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
PubChem CID136564190
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCNC(=O)C2c2cccs2)ncn1
InChIInChI=1S/C14H14N4O3S/c1-21-11-7-9(16-8-17-11)14(20)18-5-4-15-13(19)12(18)10-3-2-6-22-10/h2-3,6-8,12H,4-5H2,1H3,(H,15,19)
InChIKeyCMRCMLSIOPKLOD-UHFFFAOYSA-N
XLogP0.86
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-(piperidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 119333805
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
4-(indolizine-2-carbonyl)-3-thiophen-2-ylpiperazin-2-one
CID 71987151
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 71870427
trans-(1R,2R)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129466992
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
(3R)-4-[(2R)-2-cyclopentyloxybutanoyl]-3-thiophen-2-ylpiperazin-2-one
CID 95898826
N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 13120683
4-(1-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 23315287
4-[3-(oxolan-3-yl)benzoyl]-3-thiophen-2-ylpiperazin-2-one
CID 127683926

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one (CID 136564190) is 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one is COc1cc(C(=O)N2CCNC(=O)C2c2cccs2)ncn1.
What is the InChIKey of 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is CMRCMLSIOPKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-21-11-7-9(16-8-17-11)14(20)18-5-4-15-13(19)12(18)10-3-2-6-22-10/h2-3,6-8,12H,4-5H2,1H3,(H,15,19).
What are the key properties of 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one?
4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 318.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxypyrimidine-4-carbonyl)-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 136564190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).