1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C16H28N2O2 — CID 2187006

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-20-12-9-17-16(19)15-7-10-18(11-8-15)13-14-5-3-2-4-6-14/h2-3,14-15H,4-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyIAHKAEQTOHIIJO-AWEZNQCLSA-N
MW280.41 g/mol
LogP1.82
Rot. Bonds6

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 2187006) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID2187006
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-20-12-9-17-16(19)15-7-10-18(11-8-15)13-14-5-3-2-4-6-14/h2-3,14-15H,4-13H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyIAHKAEQTOHIIJO-AWEZNQCLSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 2187006) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(C[C@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is IAHKAEQTOHIIJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-12-9-17-16(19)15-7-10-18(11-8-15)13-14-5-3-2-4-6-14/h2-3,14-15H,4-13H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2187006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).