2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one

C22H25N3O — CID 135495119

IUPAC2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)
InChIKeyGNEBUQTZKVXTKB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.74
Rot. Bonds5

About 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one

2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one (PubChem CID 135495119) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one
PubChem CID135495119
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26)
InChIKeyGNEBUQTZKVXTKB-UHFFFAOYSA-N
XLogP3.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one (CID 135495119) is 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one is O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one?
The InChIKey is GNEBUQTZKVXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22-19-9-4-5-10-20(19)23-21(24-22)11-6-14-25-15-12-18(13-16-25)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H,23,24,26).
What are the key properties of 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one?
2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one has a molecular weight of 347.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylpiperidin-1-yl)propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135495119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).