1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide

C17H28N2O — CID 129162042

IUPAC1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide
SMILESC/C=C\C=C/C=C/CCNC(=O)C1(C)CCN(C)CC1
InChIInChI=1S/C17H28N2O/c1-4-5-6-7-8-9-10-13-18-16(20)17(2)11-14-19(3)15-12-17/h4-9H,10-15H2,1-3H3,(H,18,20)/b5-4-,7-6-,9-8+
InChIKeyRAXJYRDEIRKJIE-JCBGPSFGSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds6

About 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide

1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide (PubChem CID 129162042) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide
PubChem CID129162042
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide
SMILESC/C=C\C=C/C=C/CCNC(=O)C1(C)CCN(C)CC1
InChIInChI=1S/C17H28N2O/c1-4-5-6-7-8-9-10-13-18-16(20)17(2)11-14-19(3)15-12-17/h4-9H,10-15H2,1-3H3,(H,18,20)/b5-4-,7-6-,9-8+
InChIKeyRAXJYRDEIRKJIE-JCBGPSFGSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.91
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 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide (CID 129162042) is 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide is C/C=C\C=C/C=C/CCNC(=O)C1(C)CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide?
The InChIKey is RAXJYRDEIRKJIE-JCBGPSFGSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-5-6-7-8-9-10-13-18-16(20)17(2)11-14-19(3)15-12-17/h4-9H,10-15H2,1-3H3,(H,18,20)/b5-4-,7-6-,9-8+.
What are the key properties of 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide?
1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(3E,5Z,7Z)-nona-3,5,7-trienyl]piperidine-4-carboxamide is sourced from PubChem (CID 129162042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).