(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide

C15H21BrN2O2 — CID 97313947

IUPAC(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C15H21BrN2O2/c1-3-12-6-4-5-9-18(12)15(19)17-13-10-11(16)7-8-14(13)20-2/h7-8,10,12H,3-6,9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyULOVYEKUAQIVIS-LBPRGKRZSA-N
MW341.25 g/mol
LogP4.25
Rot. Bonds3

About (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide

(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide (PubChem CID 97313947) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
PubChem CID97313947
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C15H21BrN2O2/c1-3-12-6-4-5-9-18(12)15(19)17-13-10-11(16)7-8-14(13)20-2/h7-8,10,12H,3-6,9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyULOVYEKUAQIVIS-LBPRGKRZSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108511917
(2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 97283598
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 109150023
N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
CID 47749354
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-ethyl-4-hydroxypiperidine-1-carboxamide
CID 137334290
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide (CID 97313947) is (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide is CC[C@H]1CCCCN1C(=O)Nc1cc(Br)ccc1OC.
What is the InChIKey of (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide?
The InChIKey is ULOVYEKUAQIVIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-12-6-4-5-9-18(12)15(19)17-13-10-11(16)7-8-14(13)20-2/h7-8,10,12H,3-6,9H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide?
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 97313947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).