N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide

C17H26N2O — CID 155371491

IUPACN-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CC(/C=C\C(=C)N1CCCCC1)=C/C
InChIInChI=1S/C17H26N2O/c1-5-17(13-19(14-20)15(2)3)10-9-16(4)18-11-7-6-8-12-18/h5,9-10,14H,2,4,6-8,11-13H2,1,3H3/b10-9-,17-5+
InChIKeyGBWYOVFYQLOJDW-SYSGVOERSA-N
MW274.41 g/mol
LogP3.48
Rot. Bonds7

About N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide

N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide (PubChem CID 155371491) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide
PubChem CID155371491
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CC(/C=C\C(=C)N1CCCCC1)=C/C
InChIInChI=1S/C17H26N2O/c1-5-17(13-19(14-20)15(2)3)10-9-16(4)18-11-7-6-8-12-18/h5,9-10,14H,2,4,6-8,11-13H2,1,3H3/b10-9-,17-5+
InChIKeyGBWYOVFYQLOJDW-SYSGVOERSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide?
The IUPAC name of N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide (CID 155371491) is N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide?
The canonical SMILES for N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide is C=C(C)N(C=O)CC(/C=C\C(=C)N1CCCCC1)=C/C.
What is the InChIKey of N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide?
The InChIKey is GBWYOVFYQLOJDW-SYSGVOERSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-17(13-19(14-20)15(2)3)10-9-16(4)18-11-7-6-8-12-18/h5,9-10,14H,2,4,6-8,11-13H2,1,3H3/b10-9-,17-5+.
What are the key properties of N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide?
N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide has a molecular weight of 274.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide is sourced from PubChem (CID 155371491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).