8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C22H32N4O — CID 4826064

IUPAC8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CNCC3(N4CCCCC4)CCCCC3)nc2c1
InChIInChI=1S/C22H32N4O/c1-18-8-13-26-20(14-18)24-19(15-21(26)27)16-23-17-22(9-4-2-5-10-22)25-11-6-3-7-12-25/h8,13-15,23H,2-7,9-12,16-17H2,1H3
InChIKeyOQQVZYZMCHNPHX-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.28
Rot. Bonds5

About 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 4826064) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID4826064
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CNCC3(N4CCCCC4)CCCCC3)nc2c1
InChIInChI=1S/C22H32N4O/c1-18-8-13-26-20(14-18)24-19(15-21(26)27)16-23-17-22(9-4-2-5-10-22)25-11-6-3-7-12-25/h8,13-15,23H,2-7,9-12,16-17H2,1H3
InChIKeyOQQVZYZMCHNPHX-UHFFFAOYSA-N
XLogP3.28
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 4826064) is 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CNCC3(N4CCCCC4)CCCCC3)nc2c1.
What is the InChIKey of 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OQQVZYZMCHNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-18-8-13-26-20(14-18)24-19(15-21(26)27)16-23-17-22(9-4-2-5-10-22)25-11-6-3-7-12-25/h8,13-15,23H,2-7,9-12,16-17H2,1H3.
What are the key properties of 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 4826064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).