ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate

C19H26N2O3 — CID 82256294

IUPACethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)c2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(23)16-6-4-10-21(12-16)13-18(22)15-7-8-17-14(11-15)5-3-9-20-17/h7-8,11,16,20H,2-6,9-10,12-13H2,1H3
InChIKeyVXCMMBHRAOUODT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.50
Rot. Bonds5

About ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate

ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate (PubChem CID 82256294) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate
PubChem CID82256294
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)c2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(23)16-6-4-10-21(12-16)13-18(22)15-7-8-17-14(11-15)5-3-9-20-17/h7-8,11,16,20H,2-6,9-10,12-13H2,1H3
InChIKeyVXCMMBHRAOUODT-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
ethyl (3S)-1-[2-(4-methanimidoylphenyl)-2-oxoethyl]piperidine-3-carboxylate
CID 146992022
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
ethyl 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylate
CID 67767181
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82102443
ethyl 1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxylate
CID 44827929
ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate (CID 82256294) is ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)c2ccc3c(c2)CCCN3)C1.
What is the InChIKey of ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate?
The InChIKey is VXCMMBHRAOUODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-24-19(23)16-6-4-10-21(12-16)13-18(22)15-7-8-17-14(11-15)5-3-9-20-17/h7-8,11,16,20H,2-6,9-10,12-13H2,1H3.
What are the key properties of ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate?
ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 82256294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).