ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate

C13H22N2O4 — CID 94183634

IUPACethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C13H22N2O4/c1-2-18-13(17)14-10-5-3-7-15(9-10)12(16)11-6-4-8-19-11/h10-11H,2-9H2,1H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyBVDRLZHXGNSELG-GHMZBOCLSA-N
MW270.33 g/mol
LogP0.90
Rot. Bonds3

About ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate

ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate (PubChem CID 94183634) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
PubChem CID94183634
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C13H22N2O4/c1-2-18-13(17)14-10-5-3-7-15(9-10)12(16)11-6-4-8-19-11/h10-11H,2-9H2,1H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyBVDRLZHXGNSELG-GHMZBOCLSA-N
XLogP0.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856209
[(3R)-3-(cyclopropylamino)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 174348554
ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
CID 64822043
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[(3R)-1-[(3R)-1-oxo-3,4-dihydroisochromene-3-carbonyl]piperidin-3-yl]carbamate
CID 94140930
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
CID 60962909
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate (CID 94183634) is ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate is CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1.
What is the InChIKey of ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate?
The InChIKey is BVDRLZHXGNSELG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-18-13(17)14-10-5-3-7-15(9-10)12(16)11-6-4-8-19-11/h10-11H,2-9H2,1H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate?
ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 94183634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).