N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide

C16H26N2O2 — CID 71047338

IUPACN-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C2=C(C)CCC=C2)CC1
InChIInChI=1S/C16H26N2O2/c1-13-5-3-4-6-15(13)18-10-7-14(8-11-18)16(19)17-9-12-20-2/h4,6,14H,3,5,7-12H2,1-2H3,(H,17,19)
InChIKeyPJDAFXOZUFFHDD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds5

About N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide (PubChem CID 71047338) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
PubChem CID71047338
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C2=C(C)CCC=C2)CC1
InChIInChI=1S/C16H26N2O2/c1-13-5-3-4-6-15(13)18-10-7-14(8-11-18)16(19)17-9-12-20-2/h4,6,14H,3,5,7-12H2,1-2H3,(H,17,19)
InChIKeyPJDAFXOZUFFHDD-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide (CID 71047338) is N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(C2=C(C)CCC=C2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
The InChIKey is PJDAFXOZUFFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-3-4-6-15(13)18-10-7-14(8-11-18)16(19)17-9-12-20-2/h4,6,14H,3,5,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71047338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).