ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide

C16H26N2O2 — CID 144816942

IUPACethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide
SMILESC=C/C=C(\C=C/C)NC(=O)C1CCCCN1C=O.CC
InChIInChI=1S/C14H20N2O2.C2H6/c1-3-7-12(8-4-2)15-14(18)13-9-5-6-10-16(13)11-17;1-2/h3-4,7-8,11,13H,1,5-6,9-10H2,2H3,(H,15,18);1-2H3/b8-4-,12-7+;
InChIKeyOSBZEWCTJFJIAX-NFZKUONPSA-N
MW278.40 g/mol
LogP2.79
Rot. Bonds5

About ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide

ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide (PubChem CID 144816942) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Nameethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide
PubChem CID144816942
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide
SMILESC=C/C=C(\C=C/C)NC(=O)C1CCCCN1C=O.CC
InChIInChI=1S/C14H20N2O2.C2H6/c1-3-7-12(8-4-2)15-14(18)13-9-5-6-10-16(13)11-17;1-2/h3-4,7-8,11,13H,1,5-6,9-10H2,2H3,(H,15,18);1-2H3/b8-4-,12-7+;
InChIKeyOSBZEWCTJFJIAX-NFZKUONPSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide?
The IUPAC name of ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide (CID 144816942) is ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide?
The canonical SMILES for ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide is C=C/C=C(\C=C/C)NC(=O)C1CCCCN1C=O.CC.
What is the InChIKey of ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide?
The InChIKey is OSBZEWCTJFJIAX-NFZKUONPSA-N. The full InChI is InChI=1S/C14H20N2O2.C2H6/c1-3-7-12(8-4-2)15-14(18)13-9-5-6-10-16(13)11-17;1-2/h3-4,7-8,11,13H,1,5-6,9-10H2,2H3,(H,15,18);1-2H3/b8-4-,12-7+;.
What are the key properties of ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide?
ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 144816942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).