N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide

C15H21BrN2O3 — CID 47749354

IUPACN-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2cc(Br)ccc2OC)C1
InChIInChI=1S/C15H21BrN2O3/c1-3-21-12-5-4-8-18(10-12)15(19)17-13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyBNDGGDDUECISJT-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.49
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide

N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide (PubChem CID 47749354) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
PubChem CID47749354
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2cc(Br)ccc2OC)C1
InChIInChI=1S/C15H21BrN2O3/c1-3-21-12-5-4-8-18(10-12)15(19)17-13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)
InChIKeyBNDGGDDUECISJT-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-ethoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 95614996
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 97313947
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
N-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258102
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide (CID 47749354) is N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide is CCOC1CCCN(C(=O)Nc2cc(Br)ccc2OC)C1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide?
The InChIKey is BNDGGDDUECISJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-3-21-12-5-4-8-18(10-12)15(19)17-13-9-11(16)6-7-14(13)20-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide?
N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-ethoxypiperidine-1-carboxamide is sourced from PubChem (CID 47749354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).