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

C21H21N3O3 — CID 53319068

IUPAC4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(c3ccncc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C21H21N3O3/c25-20-18(21(26)27)13-17(19-3-1-2-10-24(19)20)14-23-11-6-16(7-12-23)15-4-8-22-9-5-15/h1-5,8-10,13,16H,6-7,11-12,14H2,(H,26,27)
InChIKeyMTCGRZFJTXAXGT-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.77
Rot. Bonds4

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

4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid (PubChem CID 53319068) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
PubChem CID53319068
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(c3ccncc3)CC2)c2ccccn2c1=O
InChIInChI=1S/C21H21N3O3/c25-20-18(21(26)27)13-17(19-3-1-2-10-24(19)20)14-23-11-6-16(7-12-23)15-4-8-22-9-5-15/h1-5,8-10,13,16H,6-7,11-12,14H2,(H,26,27)
InChIKeyMTCGRZFJTXAXGT-UHFFFAOYSA-N
XLogP2.77
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid (CID 53319068) is 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid is O=C(O)c1cc(CN2CCC(c3ccncc3)CC2)c2ccccn2c1=O.
What is the InChIKey of 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
The InChIKey is MTCGRZFJTXAXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-20-18(21(26)27)13-17(19-3-1-2-10-24(19)20)14-23-11-6-16(7-12-23)15-4-8-22-9-5-15/h1-5,8-10,13,16H,6-7,11-12,14H2,(H,26,27).
What are the key properties of 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid?
4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[(4-pyridin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid is sourced from PubChem (CID 53319068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).