3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione

C27H25N3O3 — CID 166180625

IUPAC3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione
SMILESO=C(c1ccccc1)N1CCC(Cn2c(=O)[nH]c3ccc(-c4ccccc4)cc3c2=O)CC1
InChIInChI=1S/C27H25N3O3/c31-25(21-9-5-2-6-10-21)29-15-13-19(14-16-29)18-30-26(32)23-17-22(20-7-3-1-4-8-20)11-12-24(23)28-27(30)33/h1-12,17,19H,13-16,18H2,(H,28,33)
InChIKeyICYRZBXTJAJQTF-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.91
Rot. Bonds4

About 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione

3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione (PubChem CID 166180625) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione
PubChem CID166180625
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione
SMILESO=C(c1ccccc1)N1CCC(Cn2c(=O)[nH]c3ccc(-c4ccccc4)cc3c2=O)CC1
InChIInChI=1S/C27H25N3O3/c31-25(21-9-5-2-6-10-21)29-15-13-19(14-16-29)18-30-26(32)23-17-22(20-7-3-1-4-8-20)11-12-24(23)28-27(30)33/h1-12,17,19H,13-16,18H2,(H,28,33)
InChIKeyICYRZBXTJAJQTF-UHFFFAOYSA-N
XLogP3.91
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

tert-butyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 121374314
(4-phenylphenyl)-[4-(1,2,4-triazol-4-ylmethyl)piperidin-1-yl]methanone
CID 136549797
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 39314217
methyl 2-[1-(4-phenylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate
CID 58494549
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4907682

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione (CID 166180625) is 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione is O=C(c1ccccc1)N1CCC(Cn2c(=O)[nH]c3ccc(-c4ccccc4)cc3c2=O)CC1.
What is the InChIKey of 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione?
The InChIKey is ICYRZBXTJAJQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25(21-9-5-2-6-10-21)29-15-13-19(14-16-29)18-30-26(32)23-17-22(20-7-3-1-4-8-20)11-12-24(23)28-27(30)33/h1-12,17,19H,13-16,18H2,(H,28,33).
What are the key properties of 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione?
3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione has a molecular weight of 439.52 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzoylpiperidin-4-yl)methyl]-6-phenyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 166180625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).