3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide

C23H28N4O4S — CID 58720712

IUPAC3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide
SMILESO=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H28N4O4S/c28-20(16-4-6-17(7-5-16)26-10-2-1-3-11-26)14-24-21(29)8-12-27-19-9-13-32-15-18(19)22(30)25-23(27)31/h4-7H,1-3,8-15H2,(H,24,29)(H,25,30,31)
InChIKeyLMWTXBMQHNGZTF-UHFFFAOYSA-N
MW456.57 g/mol
LogP1.71
Rot. Bonds7

About 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide

3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide (PubChem CID 58720712) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide
PubChem CID58720712
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide
SMILESO=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H28N4O4S/c28-20(16-4-6-17(7-5-16)26-10-2-1-3-11-26)14-24-21(29)8-12-27-19-9-13-32-15-18(19)22(30)25-23(27)31/h4-7H,1-3,8-15H2,(H,24,29)(H,25,30,31)
InChIKeyLMWTXBMQHNGZTF-UHFFFAOYSA-N
XLogP1.71
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-(2-oxo-2-pyridin-3-ylethyl)propanamide
CID 58720764
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(3-pyrimidin-5-ylphenyl)ethyl]propanamide
CID 58720724
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]propanamide
CID 58720734
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 142140788
3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)-N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]propanamide
CID 58720685
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
CID 84580719
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 51095858
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694795
N-[2-[6-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-2-hydroxyethyl]-3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide
CID 58720800
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide (CID 58720712) is 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide is O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide?
The InChIKey is LMWTXBMQHNGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c28-20(16-4-6-17(7-5-16)26-10-2-1-3-11-26)14-24-21(29)8-12-27-19-9-13-32-15-18(19)22(30)25-23(27)31/h4-7H,1-3,8-15H2,(H,24,29)(H,25,30,31).
What are the key properties of 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide?
3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide has a molecular weight of 456.57 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 58720712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).