ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate

C24H23N3O3 — CID 14551513

IUPACethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(N2CCC(c3ccccc3)CC2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C24H23N3O3/c1-2-30-24(29)21-20-10-6-7-13-27(20)23(28)19(16-25)22(21)26-14-11-18(12-15-26)17-8-4-3-5-9-17/h3-10,13,18H,2,11-12,14-15H2,1H3
InChIKeyXALBIWALIGSXJO-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.73
Rot. Bonds4

About ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate

ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate (PubChem CID 14551513) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate
PubChem CID14551513
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Nameethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate
SMILESCCOC(=O)c1c(N2CCC(c3ccccc3)CC2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C24H23N3O3/c1-2-30-24(29)21-20-10-6-7-13-27(20)23(28)19(16-25)22(21)26-14-11-18(12-15-26)17-8-4-3-5-9-17/h3-10,13,18H,2,11-12,14-15H2,1H3
InChIKeyXALBIWALIGSXJO-UHFFFAOYSA-N
XLogP3.73
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate (CID 14551513) is ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate is CCOC(=O)c1c(N2CCC(c3ccccc3)CC2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate?
The InChIKey is XALBIWALIGSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-30-24(29)21-20-10-6-7-13-27(20)23(28)19(16-25)22(21)26-14-11-18(12-15-26)17-8-4-3-5-9-17/h3-10,13,18H,2,11-12,14-15H2,1H3.
What are the key properties of ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate?
ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate is sourced from PubChem (CID 14551513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).