2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide

C15H21BrN2O2 — CID 79715879

IUPAC2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)CC2CCNCC2)c1
InChIInChI=1S/C15H21BrN2O2/c1-18(10-11-5-7-17-8-6-11)15(19)13-9-12(20-2)3-4-14(13)16/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyPSSGODKQWBRCMJ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.53
Rot. Bonds4

About 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide

2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 79715879) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID79715879
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)N(C)CC2CCNCC2)c1
InChIInChI=1S/C15H21BrN2O2/c1-18(10-11-5-7-17-8-6-11)15(19)13-9-12(20-2)3-4-14(13)16/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyPSSGODKQWBRCMJ-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79700189
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 119454534
2-bromo-5-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454533
2,5-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627649
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79721035
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 79715879) is 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide is COc1ccc(Br)c(C(=O)N(C)CC2CCNCC2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is PSSGODKQWBRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-18(10-11-5-7-17-8-6-11)15(19)13-9-12(20-2)3-4-14(13)16/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 79715879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).