3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide

C16H23BrN2O3 — CID 119441173

IUPAC3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
SMILESCCOc1c(Br)cc(C(=O)N(C)C2CCNCC2)cc1OC
InChIInChI=1S/C16H23BrN2O3/c1-4-22-15-13(17)9-11(10-14(15)21-3)16(20)19(2)12-5-7-18-8-6-12/h9-10,12,18H,4-8H2,1-3H3
InChIKeyPXZZOHVTKYIPNV-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.68
Rot. Bonds5

About 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide

3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 119441173) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID119441173
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
SMILESCCOc1c(Br)cc(C(=O)N(C)C2CCNCC2)cc1OC
InChIInChI=1S/C16H23BrN2O3/c1-4-22-15-13(17)9-11(10-14(15)21-3)16(20)19(2)12-5-7-18-8-6-12/h9-10,12,18H,4-8H2,1-3H3
InChIKeyPXZZOHVTKYIPNV-UHFFFAOYSA-N
XLogP2.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468
4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553771
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443735
3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551020
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide (CID 119441173) is 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide is CCOc1c(Br)cc(C(=O)N(C)C2CCNCC2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is PXZZOHVTKYIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-4-22-15-13(17)9-11(10-14(15)21-3)16(20)19(2)12-5-7-18-8-6-12/h9-10,12,18H,4-8H2,1-3H3.
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide?
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 371.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119441173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).