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

C18H27N5O3 — CID 137058264

IUPAC2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(CN1CCCCC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1
InChIInChI=1S/C18H27N5O3/c24-16(13-21-5-2-1-3-6-21)23-7-4-14-15(12-23)19-18(20-17(14)25)22-8-10-26-11-9-22/h1-13H2,(H,19,20,25)
InChIKeyFTALAILCZJUGLX-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.02
Rot. Bonds3

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

2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137058264) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137058264
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(CN1CCCCC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1
InChIInChI=1S/C18H27N5O3/c24-16(13-21-5-2-1-3-6-21)23-7-4-14-15(12-23)19-18(20-17(14)25)22-8-10-26-11-9-22/h1-13H2,(H,19,20,25)
InChIKeyFTALAILCZJUGLX-UHFFFAOYSA-N
XLogP-0.02
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137058264) is 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(CN1CCCCC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1.
What is the InChIKey of 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FTALAILCZJUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-16(13-21-5-2-1-3-6-21)23-7-4-14-15(12-23)19-18(20-17(14)25)22-8-10-26-11-9-22/h1-13H2,(H,19,20,25).
What are the key properties of 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 361.45 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137058264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).