ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate

C14H23NO3 — CID 169225994

IUPACethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC(=O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)11-7-9-15(10-8-11)12-3-5-13(16)6-4-12/h11-12H,2-10H2,1H3
InChIKeyBYDOCVCVOLNTQE-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.77
Rot. Bonds3

About ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate

ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate (PubChem CID 169225994) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
PubChem CID169225994
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C2CCC(=O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)11-7-9-15(10-8-11)12-3-5-13(16)6-4-12/h11-12H,2-10H2,1H3
InChIKeyBYDOCVCVOLNTQE-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
ethyl 1-[3-(3,5-diamino-1,2,4-triazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine-4-carboxylate
CID 175976213
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
propyl 4-oxocyclohexane-1-carboxylate
CID 129121656
tert-butyl 4-(4-ethoxycarbonylpiperidin-1-yl)azepane-1-carboxylate
CID 123273994

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate (CID 169225994) is ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C2CCC(=O)CC2)CC1.
What is the InChIKey of ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate?
The InChIKey is BYDOCVCVOLNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-14(17)11-7-9-15(10-8-11)12-3-5-13(16)6-4-12/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate?
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate is sourced from PubChem (CID 169225994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).