ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate

C17H21N3O3 — CID 9281949

IUPACethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cn2ncc(=O)c3ccccc32)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)12-20-15-6-4-3-5-14(15)16(21)11-18-20/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyPBMNDQDSQMZYDE-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.63
Rot. Bonds4

About ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate (PubChem CID 9281949) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate
PubChem CID9281949
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cn2ncc(=O)c3ccccc32)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)12-20-15-6-4-3-5-14(15)16(21)11-18-20/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyPBMNDQDSQMZYDE-UHFFFAOYSA-N
XLogP1.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(5-nitroindazol-1-yl)methyl]piperidine-4-carboxylate
CID 29427718
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CID 21234480
ethyl 1-[(1-sulfanylidene-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-yl)methyl]piperidine-4-carboxylate
CID 46799243
ethyl 1-[[3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]indol-1-yl]methyl]piperidine-4-carboxylate
CID 4898008
1-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one
CID 55956458
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
ethyl 1-[[4-(2,3-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidine-4-carboxylate
CID 9245476
ethyl 1-[(1-benzylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084341
ethyl 1-[[3-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate
CID 4118106
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
CID 757381
ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate (CID 9281949) is ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cn2ncc(=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate?
The InChIKey is PBMNDQDSQMZYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)12-20-15-6-4-3-5-14(15)16(21)11-18-20/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-oxocinnolin-1-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 9281949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).