4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide

C16H23BrN2O — CID 106626185

IUPAC4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCN1)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H23BrN2O/c1-3-19(11-14-6-4-5-9-18-14)16(20)13-7-8-15(17)12(2)10-13/h7-8,10,14,18H,3-6,9,11H2,1-2H3
InChIKeyDHHFSAMMRLPGQG-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.36
Rot. Bonds4

About 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide

4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 106626185) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
PubChem CID106626185
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCN1)C(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H23BrN2O/c1-3-19(11-14-6-4-5-9-18-14)16(20)13-7-8-15(17)12(2)10-13/h7-8,10,14,18H,3-6,9,11H2,1-2H3
InChIKeyDHHFSAMMRLPGQG-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626172
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106609254
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide (CID 106626185) is 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide is CCN(CC1CCCCN1)C(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is DHHFSAMMRLPGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-19(11-14-6-4-5-9-18-14)16(20)13-7-8-15(17)12(2)10-13/h7-8,10,14,18H,3-6,9,11H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide?
4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-methyl-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106626185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).