1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one

C23H27N3O2 — CID 22377654

IUPAC1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)N1C(=O)NCc2ccccc21
InChIInChI=1S/C23H27N3O2/c27-22(26-21-9-5-4-8-20(21)17-24-23(26)28)12-15-25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,24,28)
InChIKeyMTRHIUDSXAOJSR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.59
Rot. Bonds5

About 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one

1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one (PubChem CID 22377654) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one
PubChem CID22377654
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)N1C(=O)NCc2ccccc21
InChIInChI=1S/C23H27N3O2/c27-22(26-21-9-5-4-8-20(21)17-24-23(26)28)12-15-25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,24,28)
InChIKeyMTRHIUDSXAOJSR-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one
CID 22377667
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
CID 86978734
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
3-(4-benzylpiperidin-1-yl)-1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one;ethane
CID 142958704
5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69246489
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
3-(1,3-dihydroisoindol-2-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 70717709
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one (CID 22377654) is 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one is O=C(CCN1CCC(Cc2ccccc2)CC1)N1C(=O)NCc2ccccc21.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is MTRHIUDSXAOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(26-21-9-5-4-8-20(21)17-24-23(26)28)12-15-25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2,(H,24,28).
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one?
1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 22377654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).