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

C19H26N4O3 — CID 136796627

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2c(nc(C3CCCCN3C(=O)C3CC3)[nH]c2=O)C1
InChIInChI=1S/C19H26N4O3/c1-2-16(24)22-10-8-13-14(11-22)20-17(21-18(13)25)15-5-3-4-9-23(15)19(26)12-6-7-12/h12,15H,2-11H2,1H3,(H,20,21,25)
InChIKeyJRMDHWOVFJKNGC-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.53
Rot. Bonds3

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

2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796627) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136796627
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2c(nc(C3CCCCN3C(=O)C3CC3)[nH]c2=O)C1
InChIInChI=1S/C19H26N4O3/c1-2-16(24)22-10-8-13-14(11-22)20-17(21-18(13)25)15-5-3-4-9-23(15)19(26)12-6-7-12/h12,15H,2-11H2,1H3,(H,20,21,25)
InChIKeyJRMDHWOVFJKNGC-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 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796627) is 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCC(=O)N1CCc2c(nc(C3CCCCN3C(=O)C3CC3)[nH]c2=O)C1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JRMDHWOVFJKNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-16(24)22-10-8-13-14(11-22)20-17(21-18(13)25)15-5-3-4-9-23(15)19(26)12-6-7-12/h12,15H,2-11H2,1H3,(H,20,21,25).
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-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 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).