2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C13H19N3O — CID 135417546

IUPAC2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h1-9H2,(H,14,15,17)
InChIKeyWWJZPDZHIQEJKN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.64
Rot. Bonds1

About 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135417546) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135417546
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h1-9H2,(H,14,15,17)
InChIKeyWWJZPDZHIQEJKN-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135417546) is 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(N2CCCCC2)nc2c1CCCC2.
What is the InChIKey of 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is WWJZPDZHIQEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h1-9H2,(H,14,15,17).
What are the key properties of 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135417546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).