ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate

C25H26N2O3 — CID 4058411

IUPACethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1
InChIInChI=1S/C25H26N2O3/c1-3-30-25(29)19-7-6-14-27(16-19)24(28)21-15-23(18-12-10-17(2)11-13-18)26-22-9-5-4-8-20(21)22/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3
InChIKeyFTZLPFMJGUEJMY-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.63
Rot. Bonds4

About ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate (PubChem CID 4058411) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
PubChem CID4058411
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Nameethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1
InChIInChI=1S/C25H26N2O3/c1-3-30-25(29)19-7-6-14-27(16-19)24(28)21-15-23(18-12-10-17(2)11-13-18)26-22-9-5-4-8-20(21)22/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3
InChIKeyFTZLPFMJGUEJMY-UHFFFAOYSA-N
XLogP4.63
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate (CID 4058411) is ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1.
What is the InChIKey of ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is FTZLPFMJGUEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-30-25(29)19-7-6-14-27(16-19)24(28)21-15-23(18-12-10-17(2)11-13-18)26-22-9-5-4-8-20(21)22/h4-5,8-13,15,19H,3,6-7,14,16H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 4058411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).