3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one

C16H19N3O2 — CID 4974516

IUPAC3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-15(18-9-4-1-5-10-18)8-11-19-12-17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyOAMVSWVAJQAZCT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.80
Rot. Bonds3

About 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one

3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one (PubChem CID 4974516) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
PubChem CID4974516
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-15(18-9-4-1-5-10-18)8-11-19-12-17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyOAMVSWVAJQAZCT-UHFFFAOYSA-N
XLogP1.80
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one?
The IUPAC name of 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one (CID 4974516) is 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one?
The canonical SMILES for 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCCCC1.
What is the InChIKey of 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one?
The InChIKey is OAMVSWVAJQAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(18-9-4-1-5-10-18)8-11-19-12-17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one?
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 4974516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).