3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one

C22H25N3O — CID 139023691

IUPAC3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c26-22-20-8-4-5-9-21(20)23-17-25(22)16-19-11-14-24(15-12-19)13-10-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIKeyCDUMJSZRHDJBAL-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.35
Rot. Bonds5

About 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one

3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 139023691) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID139023691
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H25N3O/c26-22-20-8-4-5-9-21(20)23-17-25(22)16-19-11-14-24(15-12-19)13-10-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIKeyCDUMJSZRHDJBAL-UHFFFAOYSA-N
XLogP3.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988371
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139022973
7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 142552008
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
3-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 138988736
3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988468
3-(4-oxoquinazolin-3-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45184954
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one (CID 139023691) is 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one is O=c1c2ccccc2ncn1CC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is CDUMJSZRHDJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22-20-8-4-5-9-21(20)23-17-25(22)16-19-11-14-24(15-12-19)13-10-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2.
What are the key properties of 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 347.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 139023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).