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

C19H29N5O3 — CID 136707015

IUPAC7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(CC(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)CC1
InChIInChI=1S/C19H29N5O3/c1-14-2-5-22(6-3-14)13-17(25)24-7-4-15-16(12-24)20-19(21-18(15)26)23-8-10-27-11-9-23/h14H,2-13H2,1H3,(H,20,21,26)
InChIKeySAOTVBNRHBZADC-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.22
Rot. Bonds3

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

7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707015) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707015
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CCN(CC(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)CC1
InChIInChI=1S/C19H29N5O3/c1-14-2-5-22(6-3-14)13-17(25)24-7-4-15-16(12-24)20-19(21-18(15)26)23-8-10-27-11-9-23/h14H,2-13H2,1H3,(H,20,21,26)
InChIKeySAOTVBNRHBZADC-UHFFFAOYSA-N
XLogP0.22
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707015) is 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CCN(CC(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)CC1.
What is the InChIKey of 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SAOTVBNRHBZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14-2-5-22(6-3-14)13-17(25)24-7-4-15-16(12-24)20-19(21-18(15)26)23-8-10-27-11-9-23/h14H,2-13H2,1H3,(H,20,21,26).
What are the key properties of 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 375.47 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).