2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide

C15H21BrN2O — CID 80963448

IUPAC2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
SMILESCCN1CCC(NC(=O)c2cc(C)ccc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-3-18-8-6-12(7-9-18)17-15(19)13-10-11(2)4-5-14(13)16/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyOQTBPGODJHXTSS-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide

2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide (PubChem CID 80963448) 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)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
PubChem CID80963448
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
SMILESCCN1CCC(NC(=O)c2cc(C)ccc2Br)CC1
InChIInChI=1S/C15H21BrN2O/c1-3-18-8-6-12(7-9-18)17-15(19)13-10-11(2)4-5-14(13)16/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyOQTBPGODJHXTSS-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide (CID 80963448) is 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide is CCN1CCC(NC(=O)c2cc(C)ccc2Br)CC1.
What is the InChIKey of 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide?
The InChIKey is OQTBPGODJHXTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-18-8-6-12(7-9-18)17-15(19)13-10-11(2)4-5-14(13)16/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide?
2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide is sourced from PubChem (CID 80963448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).