ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate

C21H26N2O3 — CID 55345323

IUPACethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1
InChIInChI=1S/C21H26N2O3/c1-4-26-21(25)16-8-7-11-23(13-16)20(24)12-18-14(2)17-9-5-6-10-19(17)22-15(18)3/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3
InChIKeyVWPADWWJWDTXSJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.20
Rot. Bonds4

About ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate (PubChem CID 55345323) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
PubChem CID55345323
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nameethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1
InChIInChI=1S/C21H26N2O3/c1-4-26-21(25)16-8-7-11-23(13-16)20(24)12-18-14(2)17-9-5-6-10-19(17)22-15(18)3/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3
InChIKeyVWPADWWJWDTXSJ-UHFFFAOYSA-N
XLogP3.20
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dimethylquinolin-3-yl)ethanone;dihydrochloride
CID 119594325
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573
1-(1,4-diazepan-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 119415901
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
CID 110690844

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate (CID 55345323) is ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2c(C)nc3ccccc3c2C)C1.
What is the InChIKey of ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is VWPADWWJWDTXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-26-21(25)16-8-7-11-23(13-16)20(24)12-18-14(2)17-9-5-6-10-19(17)22-15(18)3/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3.
What are the key properties of ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 55345323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).