4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide

C14H22N2O — CID 144635944

IUPAC4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide
SMILESC=C(/C=C\C=C/C)C1(C(N)=O)CCN(C)CC1
InChIInChI=1S/C14H22N2O/c1-4-5-6-7-12(2)14(13(15)17)8-10-16(3)11-9-14/h4-7H,2,8-11H2,1,3H3,(H2,15,17)/b5-4-,7-6-
InChIKeyVYDOMGCXCILIJZ-RZSVFLSASA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds4

About 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide

4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 144635944) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide
PubChem CID144635944
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide
SMILESC=C(/C=C\C=C/C)C1(C(N)=O)CCN(C)CC1
InChIInChI=1S/C14H22N2O/c1-4-5-6-7-12(2)14(13(15)17)8-10-16(3)11-9-14/h4-7H,2,8-11H2,1,3H3,(H2,15,17)/b5-4-,7-6-
InChIKeyVYDOMGCXCILIJZ-RZSVFLSASA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide (CID 144635944) is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide is C=C(/C=C\C=C/C)C1(C(N)=O)CCN(C)CC1.
What is the InChIKey of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is VYDOMGCXCILIJZ-RZSVFLSASA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-5-6-7-12(2)14(13(15)17)8-10-16(3)11-9-14/h4-7H,2,8-11H2,1,3H3,(H2,15,17)/b5-4-,7-6-.
What are the key properties of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide?
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 144635944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).