7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C20H28N4O — CID 47084671

IUPAC7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(N4CCCCC4)CC3)cc(=O)n2c1
InChIInChI=1S/C20H28N4O/c1-16-5-6-19-21-17(13-20(25)24(19)14-16)15-22-11-7-18(8-12-22)23-9-3-2-4-10-23/h5-6,13-14,18H,2-4,7-12,15H2,1H3
InChIKeyIBJRCRRUUNFYNR-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.45
Rot. Bonds3

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

7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47084671) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47084671
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(N4CCCCC4)CC3)cc(=O)n2c1
InChIInChI=1S/C20H28N4O/c1-16-5-6-19-21-17(13-20(25)24(19)14-16)15-22-11-7-18(8-12-22)23-9-3-2-4-10-23/h5-6,13-14,18H,2-4,7-12,15H2,1H3
InChIKeyIBJRCRRUUNFYNR-UHFFFAOYSA-N
XLogP2.45
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47084671) is 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC(N4CCCCC4)CC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IBJRCRRUUNFYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-5-6-19-21-17(13-20(25)24(19)14-16)15-22-11-7-18(8-12-22)23-9-3-2-4-10-23/h5-6,13-14,18H,2-4,7-12,15H2,1H3.
What are the key properties of 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 340.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47084671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).