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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[2-(2,5-dichlorophenoxy)ethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112828824
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
methyl 2-[(4S)-1-[2-(2,5-dichlorophenoxy)ethyl]azepan-4-yl]acetate
CID 124730726
N-butyl-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 78900799
1-[2-(2,5-dichlorophenoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99165656
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide
CID 55950662
4-[3-(2,5-dichlorophenoxy)propyl]piperazine-1-carboxylic acid
CID 69460127
N-butyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 87014819
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934

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).