2-piperidin-1-yl-3H-quinazolin-4-one

C13H15N3O — CID 135456253

IUPAC2-piperidin-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17)
InChIKeyLDRDHYQDRVRUPE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds1

About 2-piperidin-1-yl-3H-quinazolin-4-one

2-piperidin-1-yl-3H-quinazolin-4-one (PubChem CID 135456253) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-piperidin-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-3H-quinazolin-4-one
PubChem CID135456253
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-piperidin-1-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H15N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17)
InChIKeyLDRDHYQDRVRUPE-UHFFFAOYSA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-1-yl-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
3-Methyl-4(3H)-quinazolinone
CID 17088
6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
Glycosmicine
CID 11788
Glycorine
CID 18992
2-Hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one
CID 376484

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3H-quinazolin-4-one?
The IUPAC name of 2-piperidin-1-yl-3H-quinazolin-4-one (CID 135456253) is 2-piperidin-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-piperidin-1-yl-3H-quinazolin-4-one is O=c1[nH]c(N2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-piperidin-1-yl-3H-quinazolin-4-one?
The InChIKey is LDRDHYQDRVRUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17).
What are the key properties of 2-piperidin-1-yl-3H-quinazolin-4-one?
2-piperidin-1-yl-3H-quinazolin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.91, 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-3H-quinazolin-4-one is sourced from PubChem (CID 135456253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).