N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide

C16H26N2O — CID 142350044

IUPACN-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide
SMILESC=C/C=C(\C=C)CCCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-4-7-14(5-2)8-6-11-17-16(19)15-9-12-18(3)13-10-15/h4-5,7,15H,1-2,6,8-13H2,3H3,(H,17,19)/b14-7+
InChIKeyGTPFEWZYSRUDBX-VGOFMYFVSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds7

About N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide

N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide (PubChem CID 142350044) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide
PubChem CID142350044
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide
SMILESC=C/C=C(\C=C)CCCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C16H26N2O/c1-4-7-14(5-2)8-6-11-17-16(19)15-9-12-18(3)13-10-15/h4-5,7,15H,1-2,6,8-13H2,3H3,(H,17,19)/b14-7+
InChIKeyGTPFEWZYSRUDBX-VGOFMYFVSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide (CID 142350044) is N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide is C=C/C=C(\C=C)CCCNC(=O)C1CCN(C)CC1.
What is the InChIKey of N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is GTPFEWZYSRUDBX-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-7-14(5-2)8-6-11-17-16(19)15-9-12-18(3)13-10-15/h4-5,7,15H,1-2,6,8-13H2,3H3,(H,17,19)/b14-7+.
What are the key properties of N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide?
N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 142350044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).