2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

C22H27BrN2O3 — CID 35046513

IUPAC2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc([C@H](CNC(=O)c2cc(OC)ccc2Br)N2CCCCC2)cc1
InChIInChI=1S/C22H27BrN2O3/c1-27-17-8-6-16(7-9-17)21(25-12-4-3-5-13-25)15-24-22(26)19-14-18(28-2)10-11-20(19)23/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyMNXITVKSQVVVJE-NRFANRHFSA-N
MW447.37 g/mol
LogP4.42
Rot. Bonds7

About 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide

2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 35046513) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID35046513
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc([C@H](CNC(=O)c2cc(OC)ccc2Br)N2CCCCC2)cc1
InChIInChI=1S/C22H27BrN2O3/c1-27-17-8-6-16(7-9-17)21(25-12-4-3-5-13-25)15-24-22(26)19-14-18(28-2)10-11-20(19)23/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyMNXITVKSQVVVJE-NRFANRHFSA-N
XLogP4.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 24625048
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
2,5-dichloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-3-carboxamide
CID 17494054
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide (CID 35046513) is 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2Br)N2CCCCC2)cc1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is MNXITVKSQVVVJE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-27-17-8-6-16(7-9-17)21(25-12-4-3-5-13-25)15-24-22(26)19-14-18(28-2)10-11-20(19)23/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide?
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 447.37 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 35046513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).