7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H26N4O3 — CID 136796586

IUPAC7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C19H26N4O3/c1-2-16(24)23-9-4-3-5-15(23)17-20-14-11-22(19(26)12-6-7-12)10-8-13(14)18(25)21-17/h12,15H,2-11H2,1H3,(H,20,21,25)
InChIKeyUMTQIDKGRDTNMZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.53
Rot. Bonds3

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

7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796586) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136796586
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C19H26N4O3/c1-2-16(24)23-9-4-3-5-15(23)17-20-14-11-22(19(26)12-6-7-12)10-8-13(14)18(25)21-17/h12,15H,2-11H2,1H3,(H,20,21,25)
InChIKeyUMTQIDKGRDTNMZ-UHFFFAOYSA-N
XLogP1.53
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796586) is 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2.
What is the InChIKey of 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UMTQIDKGRDTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-16(24)23-9-4-3-5-15(23)17-20-14-11-22(19(26)12-6-7-12)10-8-13(14)18(25)21-17/h12,15H,2-11H2,1H3,(H,20,21,25).
What are the key properties of 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).