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

C22H27N3O — CID 10383200

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-23-21-9-5-4-8-20(21)17-25(22)15-12-18-10-13-24(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,23,26)
InChIKeyYGOWOKNKZNIBEE-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.34
Rot. Bonds5

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

3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one (PubChem CID 10383200) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one
PubChem CID10383200
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-23-21-9-5-4-8-20(21)17-25(22)15-12-18-10-13-24(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,23,26)
InChIKeyYGOWOKNKZNIBEE-UHFFFAOYSA-N
XLogP4.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one (CID 10383200) is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is YGOWOKNKZNIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22-23-21-9-5-4-8-20(21)17-25(22)15-12-18-10-13-24(14-11-18)16-19-6-2-1-3-7-19/h1-9,18H,10-17H2,(H,23,26).
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one?
3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 349.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10383200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).