3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one

C23H25N3O2 — CID 4900240

IUPAC3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(12-15-26-17-24-21-9-5-4-8-20(21)23(26)28)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIKeyMDUSWGFPVJOYJT-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds5

About 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one

3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one (PubChem CID 4900240) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
PubChem CID4900240
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-22(12-15-26-17-24-21-9-5-4-8-20(21)23(26)28)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2
InChIKeyMDUSWGFPVJOYJT-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-[3-oxo-3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propyl]quinazolin-4-one
CID 47092221
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
8-methyl-3-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]quinazolin-4-one
CID 30085391
3-[3-oxo-3-(4-pyridazin-3-yloxypiperidin-1-yl)propyl]quinazolin-4-one
CID 71799340
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[2-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 97150971

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one (CID 4900240) is 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one?
The InChIKey is MDUSWGFPVJOYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22(12-15-26-17-24-21-9-5-4-8-20(21)23(26)28)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2.
What are the key properties of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one?
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one has a molecular weight of 375.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 4900240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).