7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H22N4O3 — CID 136707058

IUPAC7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccco1)C2
InChIInChI=1S/C18H22N4O3/c1-12-5-2-3-8-22(12)18-19-14-11-21(9-7-13(14)16(23)20-18)17(24)15-6-4-10-25-15/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,19,20,23)
InChIKeyKOWKHQBPZHDEJX-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds2

About 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707058) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707058
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccco1)C2
InChIInChI=1S/C18H22N4O3/c1-12-5-2-3-8-22(12)18-19-14-11-21(9-7-13(14)16(23)20-18)17(24)15-6-4-10-25-15/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,19,20,23)
InChIKeyKOWKHQBPZHDEJX-UHFFFAOYSA-N
XLogP1.94
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135448588
4-[(Furan-2-carbonyl)-amino]-piperidine-1-carboxylic acid cyclohexylamide
CID 656103
N-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1080188
1-{1-Ethyl-4-[4-(2-furoyl)-1-piperazinyl]-6-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl}ethanone
CID 1491613
6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149958
3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 3237172
3-((Sec-butylimino)ME)2-((2-furyl-ME)amino)-9-ME-4H-pyrido(1,2-A)pyrimidin-4-one
CID 4194806
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 7080820
N-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 24982924
3-ethyl-6-(4-(furan-2-carbonyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 7080831
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylfuran-2-carboxamide
CID 9506465
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)furan-2-carboxamide
CID 18566204

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707058) is 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccco1)C2.
What is the InChIKey of 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KOWKHQBPZHDEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-5-2-3-8-22(12)18-19-14-11-21(9-7-13(14)16(23)20-18)17(24)15-6-4-10-25-15/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,19,20,23).
What are the key properties of 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-carbonyl)-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).