N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide

C16H23BrN2O2 — CID 63122202

IUPACN-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1(C)CCNCC1
InChIInChI=1S/C16H23BrN2O2/c1-16(7-9-18-10-8-16)15(20)19(2)11-12-21-14-5-3-13(17)4-6-14/h3-6,18H,7-12H2,1-2H3
InChIKeyMPWIOLPHUGDTNC-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide

N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide (PubChem CID 63122202) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
PubChem CID63122202
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1(C)CCNCC1
InChIInChI=1S/C16H23BrN2O2/c1-16(7-9-18-10-8-16)15(20)19(2)11-12-21-14-5-3-13(17)4-6-14/h3-6,18H,7-12H2,1-2H3
InChIKeyMPWIOLPHUGDTNC-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylpiperidine-3-carboxamide
CID 119943919
N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119683709
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 119695349
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119684310

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide (CID 63122202) is N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)C1(C)CCNCC1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide?
The InChIKey is MPWIOLPHUGDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-16(7-9-18-10-8-16)15(20)19(2)11-12-21-14-5-3-13(17)4-6-14/h3-6,18H,7-12H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide?
N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 63122202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).