1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide

C13H22N2O2 — CID 136581483

IUPAC1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC1[C@H]2COC[C@@H]12
InChIInChI=1S/C13H22N2O2/c1-2-15-6-4-3-5-11(15)13(16)14-12-9-7-17-8-10(9)12/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10+,11?,12?
InChIKeyYKMMANKRSZUSNO-ZYANWLCNSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds3

About 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide

1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide (PubChem CID 136581483) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide
PubChem CID136581483
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NC1[C@H]2COC[C@@H]12
InChIInChI=1S/C13H22N2O2/c1-2-15-6-4-3-5-11(15)13(16)14-12-9-7-17-8-10(9)12/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10+,11?,12?
InChIKeyYKMMANKRSZUSNO-ZYANWLCNSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide (CID 136581483) is 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide is CCN1CCCCC1C(=O)NC1[C@H]2COC[C@@H]12.
What is the InChIKey of 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide?
The InChIKey is YKMMANKRSZUSNO-ZYANWLCNSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-15-6-4-3-5-11(15)13(16)14-12-9-7-17-8-10(9)12/h9-12H,2-8H2,1H3,(H,14,16)/t9-,10+,11?,12?.
What are the key properties of 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide?
1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]piperidine-2-carboxamide is sourced from PubChem (CID 136581483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).