1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid

C23H21N3O3 — CID 25263944

IUPAC1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESN#CC1(c2ccccc2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1
InChIInChI=1S/C23H21N3O3/c24-16-23(18-6-2-1-3-7-18)9-12-25(13-10-23)15-17-14-19(22(28)29)21(27)26-11-5-4-8-20(17)26/h1-8,11,14H,9-10,12-13,15H2,(H,28,29)
InChIKeyFIZKJEAQFWGPCP-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.06
Rot. Bonds4

About 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid

1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 25263944) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID25263944
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESN#CC1(c2ccccc2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1
InChIInChI=1S/C23H21N3O3/c24-16-23(18-6-2-1-3-7-18)9-12-25(13-10-23)15-17-14-19(22(28)29)21(27)26-11-5-4-8-20(17)26/h1-8,11,14H,9-10,12-13,15H2,(H,28,29)
InChIKeyFIZKJEAQFWGPCP-UHFFFAOYSA-N
XLogP3.06
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid (CID 25263944) is 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid is N#CC1(c2ccccc2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1.
What is the InChIKey of 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is FIZKJEAQFWGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c24-16-23(18-6-2-1-3-7-18)9-12-25(13-10-23)15-17-14-19(22(28)29)21(27)26-11-5-4-8-20(17)26/h1-8,11,14H,9-10,12-13,15H2,(H,28,29).
What are the key properties of 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid?
1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyano-4-phenylpiperidin-1-yl)methyl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 25263944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).