3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione

C15H22N2O2 — CID 155207749

IUPAC3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
SMILESC=C/C=C(/NC1CCC(=O)NC1=O)C(CC)=C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-7-12(11(6-2)10(3)4)16-13-8-9-14(18)17-15(13)19/h5,7,13,16H,1,6,8-9H2,2-4H3,(H,17,18,19)/b12-7+
InChIKeyYWMDWTLPBYNLTD-KPKJPENVSA-N
MW262.35 g/mol
LogP2.20
Rot. Bonds5

About 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione

3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione (PubChem CID 155207749) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
PubChem CID155207749
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
SMILESC=C/C=C(/NC1CCC(=O)NC1=O)C(CC)=C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-7-12(11(6-2)10(3)4)16-13-8-9-14(18)17-15(13)19/h5,7,13,16H,1,6,8-9H2,2-4H3,(H,17,18,19)/b12-7+
InChIKeyYWMDWTLPBYNLTD-KPKJPENVSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidene-5-methylhept-4-enamide;ethane
CID 177318636
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane
CID 177198123
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
3-(3-methylbut-3-enylamino)piperidine-2,6-dione
CID 114472384
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115431256
2-[(2,6-dioxopiperidin-3-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285060

Frequently Asked Questions

What is the IUPAC name of 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione (CID 155207749) is 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione is C=C/C=C(/NC1CCC(=O)NC1=O)C(CC)=C(C)C.
What is the InChIKey of 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
The InChIKey is YWMDWTLPBYNLTD-KPKJPENVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-7-12(11(6-2)10(3)4)16-13-8-9-14(18)17-15(13)19/h5,7,13,16H,1,6,8-9H2,2-4H3,(H,17,18,19)/b12-7+.
What are the key properties of 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione has a molecular weight of 262.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E)-5-ethyl-6-methylhepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 155207749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).