1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

C19H32N2O — CID 2903559

IUPAC1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C19H32N2O/c1-4-21(14-16(2)3)19(22)18-10-12-20(13-11-18)15-17-8-6-5-7-9-17/h5-6,17-18H,2,4,7-15H2,1,3H3
InChIKeyIMZCAJQNKJICOQ-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.48
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide

1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (PubChem CID 2903559) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
PubChem CID2903559
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C19H32N2O/c1-4-21(14-16(2)3)19(22)18-10-12-20(13-11-18)15-17-8-6-5-7-9-17/h5-6,17-18H,2,4,7-15H2,1,3H3
InChIKeyIMZCAJQNKJICOQ-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide (CID 2903559) is 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is C=C(C)CN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is IMZCAJQNKJICOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-21(14-16(2)3)19(22)18-10-12-20(13-11-18)15-17-8-6-5-7-9-17/h5-6,17-18H,2,4,7-15H2,1,3H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide?
1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 304.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 2903559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).