(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen

C25H30N2O2 — CID 144843031

IUPAC(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen
SMILESC=C/C=C(\C=C)C(=O)Nc1cccc(-c2ccc(OC3CCN(C)CC3)cc2)c1.[H][H]
InChIInChI=1S/C25H28N2O2.H2/c1-4-7-19(5-2)25(28)26-22-9-6-8-21(18-22)20-10-12-23(13-11-20)29-24-14-16-27(3)17-15-24;/h4-13,18,24H,1-2,14-17H2,3H3,(H,26,28);1H/b19-7+;
InChIKeyDRTTVFHHEPORQN-YRQQTYEQSA-N
MW390.53 g/mol
LogP5.31
Rot. Bonds7

About (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen

(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen (PubChem CID 144843031) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen.

Molecular Properties

Compound Name(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen
PubChem CID144843031
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen
SMILESC=C/C=C(\C=C)C(=O)Nc1cccc(-c2ccc(OC3CCN(C)CC3)cc2)c1.[H][H]
InChIInChI=1S/C25H28N2O2.H2/c1-4-7-19(5-2)25(28)26-22-9-6-8-21(18-22)20-10-12-23(13-11-20)29-24-14-16-27(3)17-15-24;/h4-13,18,24H,1-2,14-17H2,3H3,(H,26,28);1H/b19-7+;
InChIKeyDRTTVFHHEPORQN-YRQQTYEQSA-N
XLogP5.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
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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Related Compounds

(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide
CID 144842995
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 154587112
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide
CID 118063091
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
N-[3-(2,6-dimethylphenyl)phenyl]-4-[(2E,4E)-5-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methoxy]hepta-2,4,6-trien-2-yl]benzamide
CID 167167843
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
CID 118063788
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131903203
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen?
The IUPAC name of (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen (CID 144843031) is (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen.
What is the SMILES notation for (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen?
The canonical SMILES for (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen is C=C/C=C(\C=C)C(=O)Nc1cccc(-c2ccc(OC3CCN(C)CC3)cc2)c1.[H][H].
What is the InChIKey of (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen?
The InChIKey is DRTTVFHHEPORQN-YRQQTYEQSA-N. The full InChI is InChI=1S/C25H28N2O2.H2/c1-4-7-19(5-2)25(28)26-22-9-6-8-21(18-22)20-10-12-23(13-11-20)29-24-14-16-27(3)17-15-24;/h4-13,18,24H,1-2,14-17H2,3H3,(H,26,28);1H/b19-7+;.
What are the key properties of (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen?
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen has a molecular weight of 390.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen is sourced from PubChem (CID 144843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).