2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one

C23H34N4O2S — CID 146439707

IUPAC2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(CCc1nc2ccsc2c(=O)[nH]1)N1CCN(C2CCCCCCCCC2)CC1
InChIInChI=1S/C23H34N4O2S/c28-21(11-10-20-24-19-12-17-30-22(19)23(29)25-20)27-15-13-26(14-16-27)18-8-6-4-2-1-3-5-7-9-18/h12,17-18H,1-11,13-16H2,(H,24,25,29)
InChIKeyFWYILSCVWXDUIH-UHFFFAOYSA-N
MW430.62 g/mol
LogP3.95
Rot. Bonds4

About 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146439707) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146439707
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(CCc1nc2ccsc2c(=O)[nH]1)N1CCN(C2CCCCCCCCC2)CC1
InChIInChI=1S/C23H34N4O2S/c28-21(11-10-20-24-19-12-17-30-22(19)23(29)25-20)27-15-13-26(14-16-27)18-8-6-4-2-1-3-5-7-9-18/h12,17-18H,1-11,13-16H2,(H,24,25,29)
InChIKeyFWYILSCVWXDUIH-UHFFFAOYSA-N
XLogP3.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

12-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 50761644
2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135496263
12-[4-(4-cyclohexylpiperazin-1-yl)-4-oxobutyl]-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 20904585
2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137136908
2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811801
2-[[[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-propylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135665494
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869251
1-(4-cyclohexylpiperazin-1-yl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 53084531
1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)propan-1-one
CID 91807907
2-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136545765
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110868327

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 146439707) is 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one is O=C(CCc1nc2ccsc2c(=O)[nH]1)N1CCN(C2CCCCCCCCC2)CC1.
What is the InChIKey of 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FWYILSCVWXDUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c28-21(11-10-20-24-19-12-17-30-22(19)23(29)25-20)27-15-13-26(14-16-27)18-8-6-4-2-1-3-5-7-9-18/h12,17-18H,1-11,13-16H2,(H,24,25,29).
What are the key properties of 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 430.62 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclodecylpiperazin-1-yl)-3-oxopropyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146439707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).