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

C17H25BrN2O2 — CID 120636375

IUPAC(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H25BrN2O2/c1-3-20(17(21)14-8-9-19-13(2)12-14)10-11-22-16-6-4-15(18)5-7-16/h4-7,13-14,19H,3,8-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyJZOOCGLPFBUTDU-KBPBESRZSA-N
MW369.30 g/mol
LogP3.06
Rot. Bonds6

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

(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide (PubChem CID 120636375) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
PubChem CID120636375
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
SMILESCCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C17H25BrN2O2/c1-3-20(17(21)14-8-9-19-13(2)12-14)10-11-22-16-6-4-15(18)5-7-16/h4-7,13-14,19H,3,8-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyJZOOCGLPFBUTDU-KBPBESRZSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119805667
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
cis-(1R,3S)-3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide
CID 133112044
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
CID 119336178
ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624877
(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633818
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide (CID 120636375) is (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide is CCN(CCOc1ccc(Br)cc1)C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide?
The InChIKey is JZOOCGLPFBUTDU-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-3-20(17(21)14-8-9-19-13(2)12-14)10-11-22-16-6-4-15(18)5-7-16/h4-7,13-14,19H,3,8-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120636375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).