(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide

C16H25N3O3 — CID 57337321

IUPAC(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide
SMILESCC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C16H25N3O3/c1-12(2)6-3-4-8-14(20)17-11-9-15(21)19-13-7-5-10-18-16(13)22/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/b6-3+,8-4-/t13-/m0/s1
InChIKeyBOQTVXNEPKMGCB-UKMVMEMCSA-N
MW307.39 g/mol
LogP0.66
Rot. Bonds7

About (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide

(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide (PubChem CID 57337321) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide
PubChem CID57337321
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide
SMILESCC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C16H25N3O3/c1-12(2)6-3-4-8-14(20)17-11-9-15(21)19-13-7-5-10-18-16(13)22/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/b6-3+,8-4-/t13-/m0/s1
InChIKeyBOQTVXNEPKMGCB-UKMVMEMCSA-N
XLogP0.66
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide?
The IUPAC name of (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide (CID 57337321) is (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide is CC(C)/C=C/C=C\C(=O)NCCC(=O)N[C@H]1CCCNC1=O.
What is the InChIKey of (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide?
The InChIKey is BOQTVXNEPKMGCB-UKMVMEMCSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)6-3-4-8-14(20)17-11-9-15(21)19-13-7-5-10-18-16(13)22/h3-4,6,8,12-13H,5,7,9-11H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/b6-3+,8-4-/t13-/m0/s1.
What are the key properties of (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide?
(2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide has a molecular weight of 307.39 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-methyl-N-[3-oxo-3-[[(3S)-2-oxopiperidin-3-yl]amino]propyl]hepta-2,4-dienamide is sourced from PubChem (CID 57337321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).