methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate

C13H21NO4 — CID 81004933

IUPACmethyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C2CCC(C)O2)C1
InChIInChI=1S/C13H21NO4/c1-9-5-6-11(18-9)12(15)14-7-3-4-10(8-14)13(16)17-2/h9-11H,3-8H2,1-2H3
InChIKeySSOOJTHJQSBNFT-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.97
Rot. Bonds2

About methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate

methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate (PubChem CID 81004933) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
PubChem CID81004933
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C2CCC(C)O2)C1
InChIInChI=1S/C13H21NO4/c1-9-5-6-11(18-9)12(15)14-7-3-4-10(8-14)13(16)17-2/h9-11H,3-8H2,1-2H3
InChIKeySSOOJTHJQSBNFT-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2S,5R)-5-methyloxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 124593337
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
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
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate (CID 81004933) is methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C2CCC(C)O2)C1.
What is the InChIKey of methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is SSOOJTHJQSBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-5-6-11(18-9)12(15)14-7-3-4-10(8-14)13(16)17-2/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate?
methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methyloxolane-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81004933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).