2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one

C15H23N3O — CID 82105312

IUPAC2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc2c(c(=O)n1CC1CCNCC1)CCCC2
InChIInChI=1S/C15H23N3O/c1-11-17-14-5-3-2-4-13(14)15(19)18(11)10-12-6-8-16-9-7-12/h12,16H,2-10H2,1H3
InChIKeyJRUYISBDTDIDAC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.43
Rot. Bonds2

About 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one

2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 82105312) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID82105312
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc2c(c(=O)n1CC1CCNCC1)CCCC2
InChIInChI=1S/C15H23N3O/c1-11-17-14-5-3-2-4-13(14)15(19)18(11)10-12-6-8-16-9-7-12/h12,16H,2-10H2,1H3
InChIKeyJRUYISBDTDIDAC-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 82105312) is 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one is Cc1nc2c(c(=O)n1CC1CCNCC1)CCCC2.
What is the InChIKey of 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is JRUYISBDTDIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-17-14-5-3-2-4-13(14)15(19)18(11)10-12-6-8-16-9-7-12/h12,16H,2-10H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one?
2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 261.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 82105312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).