3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one

C23H27N3O2 — CID 67713917

IUPAC3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one
SMILESCCC(=O)c1ccc2c(c1)CN(N1CCC(Cc3ccccc3)CC1)C(=O)N2
InChIInChI=1S/C23H27N3O2/c1-2-22(27)19-8-9-21-20(15-19)16-26(23(28)24-21)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,24,28)
InChIKeyXEMBTXOXUHFOLH-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.50
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one

3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one (PubChem CID 67713917) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one
PubChem CID67713917
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one
SMILESCCC(=O)c1ccc2c(c1)CN(N1CCC(Cc3ccccc3)CC1)C(=O)N2
InChIInChI=1S/C23H27N3O2/c1-2-22(27)19-8-9-21-20(15-19)16-26(23(28)24-21)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,24,28)
InChIKeyXEMBTXOXUHFOLH-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one (CID 67713917) is 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one is CCC(=O)c1ccc2c(c1)CN(N1CCC(Cc3ccccc3)CC1)C(=O)N2.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one?
The InChIKey is XEMBTXOXUHFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-22(27)19-8-9-21-20(15-19)16-26(23(28)24-21)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,24,28).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one?
3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-6-propanoyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 67713917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).