N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide

C22H24N4O4S — CID 46360558

IUPACN-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c1-3-30-16-6-4-15(5-7-16)25-19(27)14-8-10-26(11-9-14)22(29)18-13(2)17-20(28)23-12-24-21(17)31-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,25,27)(H,23,24,28)
InChIKeyYUUDXCGBCIENIZ-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.18
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide (PubChem CID 46360558) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
PubChem CID46360558
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c1-3-30-16-6-4-15(5-7-16)25-19(27)14-8-10-26(11-9-14)22(29)18-13(2)17-20(28)23-12-24-21(17)31-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,25,27)(H,23,24,28)
InChIKeyYUUDXCGBCIENIZ-UHFFFAOYSA-N
XLogP3.18
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46360561
ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
6-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 125019563
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
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
3-cyclopentyl-N-(4-ethoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 51064614
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide (CID 46360558) is N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(C(=O)c3sc4nc[nH]c(=O)c4c3C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is YUUDXCGBCIENIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-3-30-16-6-4-15(5-7-16)25-19(27)14-8-10-26(11-9-14)22(29)18-13(2)17-20(28)23-12-24-21(17)31-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,25,27)(H,23,24,28).
What are the key properties of N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46360558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).