4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid

C22H22N2O3 — CID 53318900

IUPAC4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(c3ccccc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C22H22N2O3/c25-21-19(22(26)27)14-18(20-8-4-5-11-24(20)21)15-23-12-9-17(10-13-23)16-6-2-1-3-7-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,26,27)
InChIKeyLBBKUZMYCIQSRM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.38
Rot. Bonds4

About 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid

4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid (PubChem CID 53318900) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
PubChem CID53318900
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(c3ccccc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C22H22N2O3/c25-21-19(22(26)27)14-18(20-8-4-5-11-24(20)21)15-23-12-9-17(10-13-23)16-6-2-1-3-7-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,26,27)
InChIKeyLBBKUZMYCIQSRM-UHFFFAOYSA-N
XLogP3.38
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid (CID 53318900) is 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(CN2CCC(c3ccccc3)CC2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is LBBKUZMYCIQSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21-19(22(26)27)14-18(20-8-4-5-11-24(20)21)15-23-12-9-17(10-13-23)16-6-2-1-3-7-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-phenylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 53318900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).