methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate

C13H21NO4 — CID 78919120

IUPACmethyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C13H21NO4/c1-17-13(16)11-3-2-6-14(9-11)12(15)10-4-7-18-8-5-10/h10-11H,2-9H2,1H3
InChIKeyHLLDASKTDFWFAN-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.82
Rot. Bonds2

About methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate

methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate (PubChem CID 78919120) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
PubChem CID78919120
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C13H21NO4/c1-17-13(16)11-3-2-6-14(9-11)12(15)10-4-7-18-8-5-10/h10-11H,2-9H2,1H3
InChIKeyHLLDASKTDFWFAN-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
CID 81004933
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate
CID 103760898
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896

Frequently Asked Questions

What is the IUPAC name of methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate (CID 78919120) is methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C2CCOCC2)C1.
What is the InChIKey of methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is HLLDASKTDFWFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-17-13(16)11-3-2-6-14(9-11)12(15)10-4-7-18-8-5-10/h10-11H,2-9H2,1H3.
What are the key properties of methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate?
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).