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

C20H30Cl2N4O — CID 154920478

IUPAC8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCc1ccn2c(=O)cc(CN3CCC(C4CCNCC4)CC3)nc2c1.Cl.Cl
InChIInChI=1S/C20H28N4O.2ClH/c1-15-4-11-24-19(12-15)22-18(13-20(24)25)14-23-9-5-17(6-10-23)16-2-7-21-8-3-16;;/h4,11-13,16-17,21H,2-3,5-10,14H2,1H3;2*1H
InChIKeyMTUWQDFBFQCZKX-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.06
Rot. Bonds3

About 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride

8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride (PubChem CID 154920478) has the molecular formula C20H30Cl2N4O and a molecular weight of 413.39 g/mol. Its IUPAC name is 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
PubChem CID154920478
Molecular FormulaC20H30Cl2N4O
Molecular Weight413.39 g/mol
Exact Mass412.18
IUPAC Name8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
SMILESCc1ccn2c(=O)cc(CN3CCC(C4CCNCC4)CC3)nc2c1.Cl.Cl
InChIInChI=1S/C20H28N4O.2ClH/c1-15-4-11-24-19(12-15)22-18(13-20(24)25)14-23-9-5-17(6-10-23)16-2-7-21-8-3-16;;/h4,11-13,16-17,21H,2-3,5-10,14H2,1H3;2*1H
InChIKeyMTUWQDFBFQCZKX-UHFFFAOYSA-N
XLogP3.06
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The IUPAC name of 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride (CID 154920478) is 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The canonical SMILES for 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride is Cc1ccn2c(=O)cc(CN3CCC(C4CCNCC4)CC3)nc2c1.Cl.Cl.
What is the InChIKey of 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
The InChIKey is MTUWQDFBFQCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.2ClH/c1-15-4-11-24-19(12-15)22-18(13-20(24)25)14-23-9-5-17(6-10-23)16-2-7-21-8-3-16;;/h4,11-13,16-17,21H,2-3,5-10,14H2,1H3;2*1H.
What are the key properties of 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride?
8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride has a molecular weight of 413.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride is sourced from PubChem (CID 154920478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).