6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C20H27N5O3S — CID 46360561

IUPAC6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCN1CCN(C(=O)C2CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)CC2)CC1
InChIInChI=1S/C20H27N5O3S/c1-3-23-8-10-25(11-9-23)19(27)14-4-6-24(7-5-14)20(28)16-13(2)15-17(26)21-12-22-18(15)29-16/h12,14H,3-11H2,1-2H3,(H,21,22,26)
InChIKeyVURDMVRWDLPTIF-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.31
Rot. Bonds3

About 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46360561) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46360561
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCN1CCN(C(=O)C2CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)CC2)CC1
InChIInChI=1S/C20H27N5O3S/c1-3-23-8-10-25(11-9-23)19(27)14-4-6-24(7-5-14)20(28)16-13(2)15-17(26)21-12-22-18(15)29-16/h12,14H,3-11H2,1-2H3,(H,21,22,26)
InChIKeyVURDMVRWDLPTIF-UHFFFAOYSA-N
XLogP1.31
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
CID 46360558
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 97266216
6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 74238277
6-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52900694
6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 170506722
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
(4-ethylpiperazin-1-yl)-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 46344644
1-[2-[(dimethylamino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylic acid
CID 110498204
(3R,4S)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 133115618
5-methyl-6-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 119068298

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 46360561) is 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCN1CCN(C(=O)C2CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)CC2)CC1.
What is the InChIKey of 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VURDMVRWDLPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-3-23-8-10-25(11-9-23)19(27)14-4-6-24(7-5-14)20(28)16-13(2)15-17(26)21-12-22-18(15)29-16/h12,14H,3-11H2,1-2H3,(H,21,22,26).
What are the key properties of 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 417.54 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46360561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).