7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 161265345

IUPAC7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2ccc3nccc(=O)n3c2)CC1
InChIInChI=1S/C16H21N3O/c1-2-9-18-10-6-13(7-11-18)14-3-4-15-17-8-5-16(20)19(15)12-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3
InChIKeyVDCKELFQMDCFEQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.28
Rot. Bonds3

About 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 161265345) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID161265345
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1CCC(c2ccc3nccc(=O)n3c2)CC1
InChIInChI=1S/C16H21N3O/c1-2-9-18-10-6-13(7-11-18)14-3-4-15-17-8-5-16(20)19(15)12-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3
InChIKeyVDCKELFQMDCFEQ-UHFFFAOYSA-N
XLogP2.28
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 161265345) is 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is CCCN1CCC(c2ccc3nccc(=O)n3c2)CC1.
What is the InChIKey of 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VDCKELFQMDCFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-9-18-10-6-13(7-11-18)14-3-4-15-17-8-5-16(20)19(15)12-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3.
What are the key properties of 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-propylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 161265345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).