6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide

C23H39N3O — CID 20560064

IUPAC6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCC(CCc2ccccc2N)N(C)C1
InChIInChI=1S/C23H39N3O/c1-4-6-16-26(17-7-5-2)23(27)20-13-15-21(25(3)18-20)14-12-19-10-8-9-11-22(19)24/h8-11,20-21H,4-7,12-18,24H2,1-3H3
InChIKeyCXUTTWROKOTBOA-UHFFFAOYSA-N
MW373.59 g/mol
LogP4.34
Rot. Bonds10

About 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide

6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide (PubChem CID 20560064) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide
PubChem CID20560064
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCC(CCc2ccccc2N)N(C)C1
InChIInChI=1S/C23H39N3O/c1-4-6-16-26(17-7-5-2)23(27)20-13-15-21(25(3)18-20)14-12-19-10-8-9-11-22(19)24/h8-11,20-21H,4-7,12-18,24H2,1-3H3
InChIKeyCXUTTWROKOTBOA-UHFFFAOYSA-N
XLogP4.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide?
The IUPAC name of 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide (CID 20560064) is 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide?
The canonical SMILES for 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide is CCCCN(CCCC)C(=O)C1CCC(CCc2ccccc2N)N(C)C1.
What is the InChIKey of 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide?
The InChIKey is CXUTTWROKOTBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O/c1-4-6-16-26(17-7-5-2)23(27)20-13-15-21(25(3)18-20)14-12-19-10-8-9-11-22(19)24/h8-11,20-21H,4-7,12-18,24H2,1-3H3.
What are the key properties of 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide?
6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide has a molecular weight of 373.59 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminophenyl)ethyl]-N,N-dibutyl-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 20560064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).