2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide

C17H25BrN2O — CID 107983269

IUPAC2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1cccc(C)c1Br
InChIInChI=1S/C17H25BrN2O/c1-3-11-20(12-14-8-4-5-10-19-14)17(21)15-9-6-7-13(2)16(15)18/h6-7,9,14,19H,3-5,8,10-12H2,1-2H3
InChIKeyJWMVVMIXOADYIE-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.75
Rot. Bonds5

About 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide

2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 107983269) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID107983269
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1cccc(C)c1Br
InChIInChI=1S/C17H25BrN2O/c1-3-11-20(12-14-8-4-5-10-19-14)17(21)15-9-6-7-13(2)16(15)18/h6-7,9,14,19H,3-5,8,10-12H2,1-2H3
InChIKeyJWMVVMIXOADYIE-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 107983269) is 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is JWMVVMIXOADYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-11-20(12-14-8-4-5-10-19-14)17(21)15-9-6-7-13(2)16(15)18/h6-7,9,14,19H,3-5,8,10-12H2,1-2H3.
What are the key properties of 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 353.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 107983269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).