ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate

C25H25N3O3 — CID 14551512

IUPACethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(N2CCC(Cc3ccccc3)CC2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C25H25N3O3/c1-2-31-25(30)22-21-10-6-7-13-28(21)24(29)20(17-26)23(22)27-14-11-19(12-15-27)16-18-8-4-3-5-9-18/h3-10,13,19H,2,11-12,14-16H2,1H3
InChIKeyFVTZLYXVOZLGPD-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.81
Rot. Bonds5

About ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate

ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate (PubChem CID 14551512) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate
PubChem CID14551512
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Nameethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(N2CCC(Cc3ccccc3)CC2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C25H25N3O3/c1-2-31-25(30)22-21-10-6-7-13-28(21)24(29)20(17-26)23(22)27-14-11-19(12-15-27)16-18-8-4-3-5-9-18/h3-10,13,19H,2,11-12,14-16H2,1H3
InChIKeyFVTZLYXVOZLGPD-UHFFFAOYSA-N
XLogP3.81
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-1-({4-[4-(trifluoromethyl)phenyl]piperidin-1-yl}methyl)-4H-quinolizine-3-carboxylate
CID 86649245
Ethyl 2-benzylamino-3-cyano-4-oxo-6,7,8,9-tetrahydro-4H-quinolizine-1-carboxylate
CID 564052
Methyl 3-cyano-4-oxo-4H-benzo[a]quinolizine-2-carboxylate
CID 85750657
3-Phenylpropyl 3-cyano-2-(cyclopropylmethylamino)-4-oxoquinolizine-1-carboxylate
CID 14551505
3-Phenylpropyl 3-cyano-4-oxo-2-(2-piperidin-1-ylethylamino)quinolizine-1-carboxylate
CID 14551506
Ethyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate
CID 14551513
3-Phenylpropyl 3-cyano-4-oxo-2-piperidin-1-ylquinolizine-1-carboxylate
CID 14551518
3-Phenylpropyl 3-cyano-4-oxo-2-pyrrolidin-1-ylquinolizine-1-carboxylate
CID 14551519
3-Phenylpropyl 3-cyano-2-(4-formylpiperazin-1-yl)-4-oxoquinolizine-1-carboxylate
CID 14551520
3-Phenylpropyl 3-cyano-2-(4-methylpiperazin-1-yl)-4-oxoquinolizine-1-carboxylate
CID 14551521
3-Phenylpropyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate
CID 14551522
3-Phenylpropyl 3-cyano-4-oxo-2-(4-phenylpiperidin-1-yl)quinolizine-1-carboxylate
CID 14551523

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate (CID 14551512) is ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(N2CCC(Cc3ccccc3)CC2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate?
The InChIKey is FVTZLYXVOZLGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-31-25(30)22-21-10-6-7-13-28(21)24(29)20(17-26)23(22)27-14-11-19(12-15-27)16-18-8-4-3-5-9-18/h3-10,13,19H,2,11-12,14-16H2,1H3.
What are the key properties of ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate?
ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-benzylpiperidin-1-yl)-3-cyano-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 14551512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).