7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 130339616

IUPAC7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cc(C)c3nccc(=O)n3c2)CC1
InChIInChI=1S/C16H21N3O/c1-3-18-8-5-13(6-9-18)14-10-12(2)16-17-7-4-15(20)19(16)11-14/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3
InChIKeyWRTDSLDQQBHTKG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.20
Rot. Bonds2

About 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one

7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 130339616) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID130339616
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCC(c2cc(C)c3nccc(=O)n3c2)CC1
InChIInChI=1S/C16H21N3O/c1-3-18-8-5-13(6-9-18)14-10-12(2)16-17-7-4-15(20)19(16)11-14/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3
InChIKeyWRTDSLDQQBHTKG-UHFFFAOYSA-N
XLogP2.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 130339616) is 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one is CCN1CCC(c2cc(C)c3nccc(=O)n3c2)CC1.
What is the InChIKey of 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WRTDSLDQQBHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-18-8-5-13(6-9-18)14-10-12(2)16-17-7-4-15(20)19(16)11-14/h4,7,10-11,13H,3,5-6,8-9H2,1-2H3.
What are the key properties of 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 130339616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).