N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide

C19H28Cl2N2O2 — CID 112840866

IUPACN-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H28Cl2N2O2/c1-3-4-9-22(2)19(24)15-7-10-23(11-8-15)12-13-25-18-14-16(20)5-6-17(18)21/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyBUHPRSTWFAMHTM-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.34
Rot. Bonds8

About N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 112840866) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID112840866
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC NameN-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H28Cl2N2O2/c1-3-4-9-22(2)19(24)15-7-10-23(11-8-15)12-13-25-18-14-16(20)5-6-17(18)21/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyBUHPRSTWFAMHTM-UHFFFAOYSA-N
XLogP4.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide (CID 112840866) is N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(CCOc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is BUHPRSTWFAMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O2/c1-3-4-9-22(2)19(24)15-7-10-23(11-8-15)12-13-25-18-14-16(20)5-6-17(18)21/h5-6,14-15H,3-4,7-13H2,1-2H3.
What are the key properties of N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(2,5-dichlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 112840866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).