ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate

C17H22N2O2 — CID 141255355

IUPACethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(C2CCCNC2)c2ccccc2C1
InChIInChI=1S/C17H22N2O2/c1-2-21-17(20)14-10-13-6-3-4-8-16(13)19(12-14)15-7-5-9-18-11-15/h3-4,6,8,12,15,18H,2,5,7,9-11H2,1H3
InChIKeyWUMUHOYUQQWSCR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.25
Rot. Bonds3

About ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate

ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate (PubChem CID 141255355) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate
PubChem CID141255355
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate
SMILESCCOC(=O)C1=CN(C2CCCNC2)c2ccccc2C1
InChIInChI=1S/C17H22N2O2/c1-2-21-17(20)14-10-13-6-3-4-8-16(13)19(12-14)15-7-5-9-18-11-15/h3-4,6,8,12,15,18H,2,5,7,9-11H2,1H3
InChIKeyWUMUHOYUQQWSCR-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
ethyl 6-iodo-4-oxo-1-piperidin-3-ylquinoline-3-carboxylate
CID 59416049
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
ethyl 1H-indene-2-carboxylate
CID 15378309
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
ethyl 3-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 23591011
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
3-methyl-1-piperidin-3-yl-3,4-dihydro-2H-quinoline
CID 63524612
ethyl 4-(piperidin-3-ylsulfanylmethyl)benzoate
CID 84754988

Frequently Asked Questions

What is the IUPAC name of ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate?
The IUPAC name of ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate (CID 141255355) is ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate is CCOC(=O)C1=CN(C2CCCNC2)c2ccccc2C1.
What is the InChIKey of ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate?
The InChIKey is WUMUHOYUQQWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-21-17(20)14-10-13-6-3-4-8-16(13)19(12-14)15-7-5-9-18-11-15/h3-4,6,8,12,15,18H,2,5,7,9-11H2,1H3.
What are the key properties of ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate?
ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate is sourced from PubChem (CID 141255355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).