bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone

C18H32N2O6 — CID 138521001

IUPACbicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
SMILESC1CC2CCC12.CCC1CNCCN1C(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22N2O6.C6H10/c1-2-6-5-13-3-4-14(6)11(18)10-8(16)7(15)9(17)12(19)20-10;1-2-6-4-3-5(1)6/h6-10,12-13,15-17,19H,2-5H2,1H3;5-6H,1-4H2/t6?,7-,8-,9+,10-,12?;/m0./s1
InChIKeyRFVOHIZMKFSXHH-BQOFEFOQSA-N
MW372.46 g/mol
LogP-1.20
Rot. Bonds2

About bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone

bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone (PubChem CID 138521001) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
PubChem CID138521001
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Namebicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
SMILESC1CC2CCC12.CCC1CNCCN1C(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22N2O6.C6H10/c1-2-6-5-13-3-4-14(6)11(18)10-8(16)7(15)9(17)12(19)20-10;1-2-6-4-3-5(1)6/h6-10,12-13,15-17,19H,2-5H2,1H3;5-6H,1-4H2/t6?,7-,8-,9+,10-,12?;/m0./s1
InChIKeyRFVOHIZMKFSXHH-BQOFEFOQSA-N
XLogP-1.20
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone with MolForge

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Related Compounds

2-ethylpiperazine-1-carbonyl chloride
CID 151342622
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
CID 163271521
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one;molecular hydrogen
CID 163271520
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
2-ethylpiperazine-1-carboximidamide
CID 159511522
[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824171
(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone
CID 154740256
2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
CID 144913933
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
CID 119473712
acetic acid;azane;1,2-diethylpiperazine
CID 174720092

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
The IUPAC name of bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone (CID 138521001) is bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone.
What is the SMILES notation for bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
The canonical SMILES for bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone is C1CC2CCC12.CCC1CNCCN1C(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
The InChIKey is RFVOHIZMKFSXHH-BQOFEFOQSA-N. The full InChI is InChI=1S/C12H22N2O6.C6H10/c1-2-6-5-13-3-4-14(6)11(18)10-8(16)7(15)9(17)12(19)20-10;1-2-6-4-3-5(1)6/h6-10,12-13,15-17,19H,2-5H2,1H3;5-6H,1-4H2/t6?,7-,8-,9+,10-,12?;/m0./s1.
What are the key properties of bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone?
bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone has a molecular weight of 372.46 g/mol, XLogP of -1.20, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone is sourced from PubChem (CID 138521001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).