2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H30N4O2S — CID 136796031

IUPAC2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(C4CCN(C(=O)C5CCC5)CC4)[nH]c(=O)c3C2)cs1
InChIInChI=1S/C23H30N4O2S/c1-15-11-16(14-30-15)12-26-8-7-20-19(13-26)22(28)25-21(24-20)17-5-9-27(10-6-17)23(29)18-3-2-4-18/h11,14,17-18H,2-10,12-13H2,1H3,(H,24,25,28)
InChIKeyQHBJKHNXKODIIN-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796031) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796031
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(C4CCN(C(=O)C5CCC5)CC4)[nH]c(=O)c3C2)cs1
InChIInChI=1S/C23H30N4O2S/c1-15-11-16(14-30-15)12-26-8-7-20-19(13-26)22(28)25-21(24-20)17-5-9-27(10-6-17)23(29)18-3-2-4-18/h11,14,17-18H,2-10,12-13H2,1H3,(H,24,25,28)
InChIKeyQHBJKHNXKODIIN-UHFFFAOYSA-N
XLogP3.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(cyclopropanecarbonyl)-2-[1-[(5-methylthiophen-3-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796067
6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796028
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735616
2-cyclohexyl-6-[(3,5-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918520
2-cyclopropyl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944892
2-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862464
2-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681545
6-(cyclopropanecarbonyl)-2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796070
6-[(2-aminopyrimidin-5-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944972
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918242
2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946072
2-cyclohexyl-6-[(3,4-dihydroxy-5-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918340

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796031) is 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc(CN2CCc3nc(C4CCN(C(=O)C5CCC5)CC4)[nH]c(=O)c3C2)cs1.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QHBJKHNXKODIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-15-11-16(14-30-15)12-26-8-7-20-19(13-26)22(28)25-21(24-20)17-5-9-27(10-6-17)23(29)18-3-2-4-18/h11,14,17-18H,2-10,12-13H2,1H3,(H,24,25,28).
What are the key properties of 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 426.59 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-6-[(5-methylthiophen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).