1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one

C22H25N3O2 — CID 139817345

IUPAC1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
SMILESCC(=O)N1CN(C2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-17(26)24-16-25(22(27)20-9-5-6-10-21(20)24)19-11-13-23(14-12-19)15-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3
InChIKeyUDXAEUZEIVWVQG-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.12
Rot. Bonds3

About 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one

1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one (PubChem CID 139817345) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
PubChem CID139817345
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
SMILESCC(=O)N1CN(C2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc21
InChIInChI=1S/C22H25N3O2/c1-17(26)24-16-25(22(27)20-9-5-6-10-21(20)24)19-11-13-23(14-12-19)15-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3
InChIKeyUDXAEUZEIVWVQG-UHFFFAOYSA-N
XLogP3.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
6-(1-benzylpiperidin-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50952033
1-[9-(1-benzylpiperidin-4-yl)-6-methylsulfonyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 110063172
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134788442
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride
CID 12667858
4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351
N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 122172201
acetyl-(1-benzylpiperidin-4-yl)-dimethylazanium
CID 123706639
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one?
The IUPAC name of 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one (CID 139817345) is 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one.
What is the SMILES notation for 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one?
The canonical SMILES for 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one is CC(=O)N1CN(C2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc21.
What is the InChIKey of 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one?
The InChIKey is UDXAEUZEIVWVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(26)24-16-25(22(27)20-9-5-6-10-21(20)24)19-11-13-23(14-12-19)15-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3.
What are the key properties of 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one?
1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one is sourced from PubChem (CID 139817345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).