N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide

C18H33N3O — CID 59932394

IUPACN-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide
SMILESCNCC1CC=CCC1C(=O)N(C)CCCN1CCCCC1
InChIInChI=1S/C18H33N3O/c1-19-15-16-9-4-5-10-17(16)18(22)20(2)11-8-14-21-12-6-3-7-13-21/h4-5,16-17,19H,3,6-15H2,1-2H3
InChIKeySTYMSXRUGJNYKY-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.12
Rot. Bonds7

About N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide

N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 59932394) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide
PubChem CID59932394
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide
SMILESCNCC1CC=CCC1C(=O)N(C)CCCN1CCCCC1
InChIInChI=1S/C18H33N3O/c1-19-15-16-9-4-5-10-17(16)18(22)20(2)11-8-14-21-12-6-3-7-13-21/h4-5,16-17,19H,3,6-15H2,1-2H3
InChIKeySTYMSXRUGJNYKY-UHFFFAOYSA-N
XLogP2.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide (CID 59932394) is N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide is CNCC1CC=CCC1C(=O)N(C)CCCN1CCCCC1.
What is the InChIKey of N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is STYMSXRUGJNYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-19-15-16-9-4-5-10-17(16)18(22)20(2)11-8-14-21-12-6-3-7-13-21/h4-5,16-17,19H,3,6-15H2,1-2H3.
What are the key properties of N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide?
N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 307.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 59932394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).