4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one

C22H24N4O3S — CID 136850627

IUPAC4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C22H24N4O3S/c1-13-10-14(2)25(3)21(28)19(13)22(29)26-7-4-15(5-8-26)20-23-17(11-18(27)24-20)16-6-9-30-12-16/h6,9-12,15H,4-5,7-8H2,1-3H3,(H,23,24,27)
InChIKeyFFUJFMJPTXAYGT-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.83
Rot. Bonds3

About 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one

4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136850627) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136850627
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C22H24N4O3S/c1-13-10-14(2)25(3)21(28)19(13)22(29)26-7-4-15(5-8-26)20-23-17(11-18(27)24-20)16-6-9-30-12-16/h6,9-12,15H,4-5,7-8H2,1-3H3,(H,23,24,27)
InChIKeyFFUJFMJPTXAYGT-UHFFFAOYSA-N
XLogP2.83
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 136763970
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136850277
2-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136735444
2-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136735792
5-[2-oxo-2-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 136881648
(5R)-5-[2-oxo-2-[4-(6-oxo-4-thiophen-3-yl-1H-pyrimidin-2-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 136682538
2-[(3R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963244
1,4,6-trimethyl-3-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 110094221
3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 138384043
2-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136816477
2-[(2R)-1-(4-methoxybenzoyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963735
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 136850627) is 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is FFUJFMJPTXAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-13-10-14(2)25(3)21(28)19(13)22(29)26-7-4-15(5-8-26)20-23-17(11-18(27)24-20)16-6-9-30-12-16/h6,9-12,15H,4-5,7-8H2,1-3H3,(H,23,24,27).
What are the key properties of 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 424.53 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136850627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).