methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate

C13H21NO4 — CID 79832834

IUPACmethyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)CC1CCCO1
InChIInChI=1S/C13H21NO4/c1-17-13(16)11-6-2-3-7-14(11)12(15)9-10-5-4-8-18-10/h10-11H,2-9H2,1H3/t10?,11-/m1/s1
InChIKeyUSMUDJINQHQQRS-RRKGBCIJSA-N
MW255.31 g/mol
LogP1.11
Rot. Bonds3

About methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate (PubChem CID 79832834) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
PubChem CID79832834
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)CC1CCCO1
InChIInChI=1S/C13H21NO4/c1-17-13(16)11-6-2-3-7-14(11)12(15)9-10-5-4-8-18-10/h10-11H,2-9H2,1H3/t10?,11-/m1/s1
InChIKeyUSMUDJINQHQQRS-RRKGBCIJSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307
1-[2-[2-(methylamino)ethyl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160147
1-[2-(chloromethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65159488
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119259949
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate (CID 79832834) is methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)CC1CCCO1.
What is the InChIKey of methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is USMUDJINQHQQRS-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21NO4/c1-17-13(16)11-6-2-3-7-14(11)12(15)9-10-5-4-8-18-10/h10-11H,2-9H2,1H3/t10?,11-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 79832834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).