methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate

C14H23NO3 — CID 169226173

IUPACmethyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CCC(=O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-18-14(17)12-6-8-15(9-7-12)10-11-2-4-13(16)5-3-11/h11-12H,2-10H2,1H3
InChIKeyXWZPRXWNRYKSRD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.63
Rot. Bonds3

About methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate

methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate (PubChem CID 169226173) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate
PubChem CID169226173
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC2CCC(=O)CC2)CC1
InChIInChI=1S/C14H23NO3/c1-18-14(17)12-6-8-15(9-7-12)10-11-2-4-13(16)5-3-11/h11-12H,2-10H2,1H3
InChIKeyXWZPRXWNRYKSRD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
methyl 4-oxocycloheptane-1-carboxylate
CID 11116477
methyl 1-(oxan-4-ylmethyl)pyrrolidine-3-carboxylate
CID 78957764
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
ethyl 4-[(3-oxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 67936903
methyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60669971
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
benzyl N-[4-[(4-oxocyclohexyl)methyl]piperazin-1-yl]carbamate
CID 178015531

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate (CID 169226173) is methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC2CCC(=O)CC2)CC1.
What is the InChIKey of methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate?
The InChIKey is XWZPRXWNRYKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-18-14(17)12-6-8-15(9-7-12)10-11-2-4-13(16)5-3-11/h11-12H,2-10H2,1H3.
What are the key properties of methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate?
methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-oxocyclohexyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 169226173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).