ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione

C19H31N3O2 — CID 177339089

IUPACethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
SMILESC.C=C/C=C1C(=C/C=C)\N(C2CCC(=O)NC2=O)CCN\1C.CC
InChIInChI=1S/C16H21N3O2.C2H6.CH4/c1-4-6-12-13(7-5-2)19(11-10-18(12)3)14-8-9-15(20)17-16(14)21;1-2;/h4-7,14H,1-2,8-11H2,3H3,(H,17,20,21);1-2H3;1H4/b12-6+,13-7+;;
InChIKeySMWBLRMBOJPGAK-ATFITULDSA-N
MW333.48 g/mol
LogP2.84
Rot. Bonds3

About ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione

ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione (PubChem CID 177339089) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
PubChem CID177339089
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Nameethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
SMILESC.C=C/C=C1C(=C/C=C)\N(C2CCC(=O)NC2=O)CCN\1C.CC
InChIInChI=1S/C16H21N3O2.C2H6.CH4/c1-4-6-12-13(7-5-2)19(11-10-18(12)3)14-8-9-15(20)17-16(14)21;1-2;/h4-7,14H,1-2,8-11H2,3H3,(H,17,20,21);1-2H3;1H4/b12-6+,13-7+;;
InChIKeySMWBLRMBOJPGAK-ATFITULDSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177343937
3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177338862
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
(3R)-3-[4-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
CID 130441981
3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 166996744
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 144997340
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 156795515
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
CID 163963632
3-[4,5-bis(ethenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]piperidine-2,6-dione;ethane;fluoromethane
CID 170739207

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione?
The IUPAC name of ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione (CID 177339089) is ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione?
The canonical SMILES for ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione is C.C=C/C=C1C(=C/C=C)\N(C2CCC(=O)NC2=O)CCN\1C.CC.
What is the InChIKey of ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione?
The InChIKey is SMWBLRMBOJPGAK-ATFITULDSA-N. The full InChI is InChI=1S/C16H21N3O2.C2H6.CH4/c1-4-6-12-13(7-5-2)19(11-10-18(12)3)14-8-9-15(20)17-16(14)21;1-2;/h4-7,14H,1-2,8-11H2,3H3,(H,17,20,21);1-2H3;1H4/b12-6+,13-7+;;.
What are the key properties of ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione?
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione has a molecular weight of 333.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177339089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).