3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one

C28H27N3O2 — CID 121021700

IUPAC3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C28H27N3O2/c32-27(18-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22)30-17-9-14-23(19-30)31-20-29-26-16-8-7-15-24(26)28(31)33/h1-8,10-13,15-16,20,23,25H,9,14,17-19H2
InChIKeyRAJZAKFKPYUBDV-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.78
Rot. Bonds5

About 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one

3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one (PubChem CID 121021700) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
PubChem CID121021700
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCCC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C28H27N3O2/c32-27(18-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22)30-17-9-14-23(19-30)31-20-29-26-16-8-7-15-24(26)28(31)33/h1-8,10-13,15-16,20,23,25H,9,14,17-19H2
InChIKeyRAJZAKFKPYUBDV-UHFFFAOYSA-N
XLogP4.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
CID 121193436
3-cyclobutylquinazolin-4-one
CID 171781936
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
CID 154847151
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
3-cyclohexyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 42968012

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one (CID 121021700) is 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCCC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one?
The InChIKey is RAJZAKFKPYUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c32-27(18-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22)30-17-9-14-23(19-30)31-20-29-26-16-8-7-15-24(26)28(31)33/h1-8,10-13,15-16,20,23,25H,9,14,17-19H2.
What are the key properties of 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one?
3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one has a molecular weight of 437.54 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 121021700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).