(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone

C17H30N2O2 — CID 114945287

IUPAC(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C17H30N2O2/c1-4-12-8-5-6-10-19(12)15(20)17(18)13-9-7-11-21-14(13)16(17,2)3/h12-14H,4-11,18H2,1-3H3
InChIKeyMSRDHMRXGPQAOR-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds2

About (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 114945287) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID114945287
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C17H30N2O2/c1-4-12-8-5-6-10-19(12)15(20)17(18)13-9-7-11-21-14(13)16(17,2)3/h12-14H,4-11,18H2,1-3H3
InChIKeyMSRDHMRXGPQAOR-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone
CID 114946120
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 114946599
(3-aminooxolan-3-yl)-(2-ethylazepan-1-yl)methanone
CID 104689740
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780665
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774567
7-amino-N-cyclohexyl-N,8,8-trimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945102
1-(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)piperidine-3-carboxylic acid
CID 114945682
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
CID 110855934
7-amino-N-[(1S)-1-cyclopentylethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 104985278
2-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carbonyl)-cyclopropylamino]acetic acid
CID 114945707

Frequently Asked Questions

What is the IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone (CID 114945287) is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is MSRDHMRXGPQAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-12-8-5-6-10-19(12)15(20)17(18)13-9-7-11-21-14(13)16(17,2)3/h12-14H,4-11,18H2,1-3H3.
What are the key properties of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone?
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114945287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).