N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide

C12H18N2O — CID 123538587

IUPACN-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide
SMILESC=CC=C(C=C)NC(=O)C1CCNCC1
InChIInChI=1S/C12H18N2O/c1-3-5-11(4-2)14-12(15)10-6-8-13-9-7-10/h3-5,10,13H,1-2,6-9H2,(H,14,15)
InChIKeyDHJDSZXJPREPPW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.36
Rot. Bonds4

About N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide

N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide (PubChem CID 123538587) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide
PubChem CID123538587
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide
SMILESC=CC=C(C=C)NC(=O)C1CCNCC1
InChIInChI=1S/C12H18N2O/c1-3-5-11(4-2)14-12(15)10-6-8-13-9-7-10/h3-5,10,13H,1-2,6-9H2,(H,14,15)
InChIKeyDHJDSZXJPREPPW-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
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 N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide?
The IUPAC name of N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide (CID 123538587) is N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide?
The canonical SMILES for N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide is C=CC=C(C=C)NC(=O)C1CCNCC1.
What is the InChIKey of N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide?
The InChIKey is DHJDSZXJPREPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-11(4-2)14-12(15)10-6-8-13-9-7-10/h3-5,10,13H,1-2,6-9H2,(H,14,15).
What are the key properties of N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide?
N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 123538587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).