2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one

C21H23N3O2 — CID 134868688

IUPAC2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one
SMILESO=C1NC(Cc2ccccc2)(C(=O)N2CCCCC2)Nc2ccccc21
InChIInChI=1S/C21H23N3O2/c25-19-17-11-5-6-12-18(17)22-21(23-19,15-16-9-3-1-4-10-16)20(26)24-13-7-2-8-14-24/h1,3-6,9-12,22H,2,7-8,13-15H2,(H,23,25)
InChIKeyJDQULGFOQAGFOT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds3

About 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one

2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one (PubChem CID 134868688) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one
PubChem CID134868688
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one
SMILESO=C1NC(Cc2ccccc2)(C(=O)N2CCCCC2)Nc2ccccc21
InChIInChI=1S/C21H23N3O2/c25-19-17-11-5-6-12-18(17)22-21(23-19,15-16-9-3-1-4-10-16)20(26)24-13-7-2-8-14-24/h1,3-6,9-12,22H,2,7-8,13-15H2,(H,23,25)
InChIKeyJDQULGFOQAGFOT-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one (CID 134868688) is 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one is O=C1NC(Cc2ccccc2)(C(=O)N2CCCCC2)Nc2ccccc21.
What is the InChIKey of 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one?
The InChIKey is JDQULGFOQAGFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19-17-11-5-6-12-18(17)22-21(23-19,15-16-9-3-1-4-10-16)20(26)24-13-7-2-8-14-24/h1,3-6,9-12,22H,2,7-8,13-15H2,(H,23,25).
What are the key properties of 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one?
2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one has a molecular weight of 349.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(piperidine-1-carbonyl)-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 134868688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).