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

C17H26N4O3 — CID 136795566

IUPAC2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C)C3)CC1
InChIInChI=1S/C17H26N4O3/c1-20-7-5-13-14(11-20)18-16(19-17(13)23)12-3-8-21(9-4-12)15(22)6-10-24-2/h12H,3-11H2,1-2H3,(H,18,19,23)
InChIKeyDEVLRBSBRFRFHW-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.50
Rot. Bonds4

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

2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136795566) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136795566
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C)C3)CC1
InChIInChI=1S/C17H26N4O3/c1-20-7-5-13-14(11-20)18-16(19-17(13)23)12-3-8-21(9-4-12)15(22)6-10-24-2/h12H,3-11H2,1-2H3,(H,18,19,23)
InChIKeyDEVLRBSBRFRFHW-UHFFFAOYSA-N
XLogP0.50
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136795566) is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C)C3)CC1.
What is the InChIKey of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DEVLRBSBRFRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20-7-5-13-14(11-20)18-16(19-17(13)23)12-3-8-21(9-4-12)15(22)6-10-24-2/h12H,3-11H2,1-2H3,(H,18,19,23).
What are the key properties of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136795566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).