2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C21H25N3O — CID 16653001

IUPAC2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C21H25N3O/c1-15-20-18(8-5-9-19(20)25)23-21(22-15)24-12-10-17(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyHWIDRPBUFYZZLK-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16653001) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16653001
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C21H25N3O/c1-15-20-18(8-5-9-19(20)25)23-21(22-15)24-12-10-17(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyHWIDRPBUFYZZLK-UHFFFAOYSA-N
XLogP3.76
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-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-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 20956815
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112907146
4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
CID 110454841
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
6-benzylcyclodecan-1-one
CID 22319830
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 62779816
2-(4-benzylpiperidin-1-yl)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 112916109
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 16653001) is 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)CCC2.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is HWIDRPBUFYZZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-20-18(8-5-9-19(20)25)23-21(22-15)24-12-10-17(11-13-24)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 335.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16653001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).