2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide

C15H21BrN2O — CID 54877660

IUPAC2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-3-18-10-8-12(9-11-18)17(2)15(19)13-6-4-5-7-14(13)16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyNPFHBMAVEFXBNQ-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.01
Rot. Bonds3

About 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide

2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide (PubChem CID 54877660) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
PubChem CID54877660
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-3-18-10-8-12(9-11-18)17(2)15(19)13-6-4-5-7-14(13)16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyNPFHBMAVEFXBNQ-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(methylamino)benzamide
CID 61377274
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
CID 115369193
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
N-(1-ethylpiperidin-4-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55002979
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
2,6-dichloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 106993273
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589
N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide (CID 54877660) is 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide is CCN1CCC(N(C)C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
The InChIKey is NPFHBMAVEFXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-18-10-8-12(9-11-18)17(2)15(19)13-6-4-5-7-14(13)16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide?
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide is sourced from PubChem (CID 54877660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).