1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide

C18H30N2O — CID 70509779

IUPAC1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCCCCN2CCCCC2)C=CC=CC1
InChIInChI=1S/C18H30N2O/c19-17(21)18(12-6-3-7-13-18)11-5-1-2-8-14-20-15-9-4-10-16-20/h3,6-7,12H,1-2,4-5,8-11,13-16H2,(H2,19,21)
InChIKeyRYZDICSWCKAHBB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.41
Rot. Bonds8

About 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide

1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70509779) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID70509779
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(CCCCCCN2CCCCC2)C=CC=CC1
InChIInChI=1S/C18H30N2O/c19-17(21)18(12-6-3-7-13-18)11-5-1-2-8-14-20-15-9-4-10-16-20/h3,6-7,12H,1-2,4-5,8-11,13-16H2,(H2,19,21)
InChIKeyRYZDICSWCKAHBB-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide (CID 70509779) is 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(CCCCCCN2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is RYZDICSWCKAHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-17(21)18(12-6-3-7-13-18)11-5-1-2-8-14-20-15-9-4-10-16-20/h3,6-7,12H,1-2,4-5,8-11,13-16H2,(H2,19,21).
What are the key properties of 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide?
1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylhexyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70509779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).