(2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide

C14H22N2O2 — CID 139589682

IUPAC(2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide
SMILESCC(C)C/C=C/C=C/C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C14H22N2O2/c1-11(2)7-4-3-5-9-13(17)16-12-8-6-10-15-14(12)18/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,15,18)(H,16,17)/b4-3+,9-5+/t12-/m0/s1
InChIKeyGBPBWMOXNYOSIK-NFUAJREHSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds5

About (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide

(2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide (PubChem CID 139589682) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide
PubChem CID139589682
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide
SMILESCC(C)C/C=C/C=C/C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C14H22N2O2/c1-11(2)7-4-3-5-9-13(17)16-12-8-6-10-15-14(12)18/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,15,18)(H,16,17)/b4-3+,9-5+/t12-/m0/s1
InChIKeyGBPBWMOXNYOSIK-NFUAJREHSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide
CID 57337321
(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 171359526
7,7,7-trifluoro-6-methyl-2-methylidene-N-(2-oxopiperidin-3-yl)hepta-3,5-dienamide
CID 123266509
(3Z,6S)-3-(3-methylbutylidene)-6-(2-methylpropyl)piperazine-2,5-dione
CID 134870572
(3Z,6S)-3-(3-methylbutylidene)-6-propan-2-ylpiperazine-2,5-dione
CID 134892446
(3R)-3-[(E)-4-fluoro-2-methylpent-3-enyl]-1-[(3Z,5Z)-2-methylhepta-3,5-dienyl]piperazine-2,5-dione
CID 145513366
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide
CID 153385188
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-4-methylcyclohepta-1,6-diene-1-carboxamide
CID 156866620
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-4-fluoropent-3-enamide
CID 165136848
N-(2,6-dioxopiperidin-3-yl)-3-fluorocyclohexa-1,5-diene-1-carboxamide
CID 165137180
(E)-N-(2,6-dioxopiperidin-3-yl)-2-(2-fluoroprop-1-enyl)pent-2-enamide
CID 166077343
N-(2,6-dioxopiperidin-3-yl)-4-fluorocyclohexa-1,5-diene-1-carboxamide
CID 166077397

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide?
The IUPAC name of (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide (CID 139589682) is (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide is CC(C)C/C=C/C=C/C(=O)N[C@H]1CCCNC1=O.
What is the InChIKey of (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide?
The InChIKey is GBPBWMOXNYOSIK-NFUAJREHSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)7-4-3-5-9-13(17)16-12-8-6-10-15-14(12)18/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,15,18)(H,16,17)/b4-3+,9-5+/t12-/m0/s1.
What are the key properties of (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide?
(2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-methyl-N-[(3S)-2-oxopiperidin-3-yl]octa-2,4-dienamide is sourced from PubChem (CID 139589682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).