ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate

C24H24N2O3 — CID 40547748

IUPACethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)23(27)20-15-22(17-9-4-3-5-10-17)25-21-13-7-6-12-19(20)21/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3/t18-/m1/s1
InChIKeyCFFXEJKBQKFPQA-GOSISDBHSA-N
MW388.47 g/mol
LogP4.32
Rot. Bonds4

About ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate

ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate (PubChem CID 40547748) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
PubChem CID40547748
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Nameethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)23(27)20-15-22(17-9-4-3-5-10-17)25-21-13-7-6-12-19(20)21/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3/t18-/m1/s1
InChIKeyCFFXEJKBQKFPQA-GOSISDBHSA-N
XLogP4.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
ethyl 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperidine-3-carboxylate
CID 42877502
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-(2-methyl-1,5-diphenylpyrrole-3-carbonyl)piperidine-3-carboxylate
CID 42785349

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate (CID 40547748) is ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is CFFXEJKBQKFPQA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-29-24(28)18-11-8-14-26(16-18)23(27)20-15-22(17-9-4-3-5-10-17)25-21-13-7-6-12-19(20)21/h3-7,9-10,12-13,15,18H,2,8,11,14,16H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 40547748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).