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

C19H30N4O3 — CID 136795598

IUPAC2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1
InChIInChI=1S/C19H30N4O3/c1-13(2)23-10-6-15-16(12-23)20-18(21-19(15)25)14-4-8-22(9-5-14)17(24)7-11-26-3/h13-14H,4-12H2,1-3H3,(H,20,21,25)
InChIKeyZRKGVHUERCWRFJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.28
Rot. Bonds5

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

2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136795598) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136795598
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1
InChIInChI=1S/C19H30N4O3/c1-13(2)23-10-6-15-16(12-23)20-18(21-19(15)25)14-4-8-22(9-5-14)17(24)7-11-26-3/h13-14H,4-12H2,1-3H3,(H,20,21,25)
InChIKeyZRKGVHUERCWRFJ-UHFFFAOYSA-N
XLogP1.28
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.28
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-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136795598) is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-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-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1.
What is the InChIKey of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZRKGVHUERCWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)23-10-6-15-16(12-23)20-18(21-19(15)25)14-4-8-22(9-5-14)17(24)7-11-26-3/h13-14H,4-12H2,1-3H3,(H,20,21,25).
What are the key properties of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[1-(3-methoxypropanoyl)piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 362.47 g/mol, XLogP of 1.28, 5 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-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136795598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).