2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

C16H23BrN2O — CID 51148947

IUPAC2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-16(2,19-10-6-3-7-11-19)12-18-15(20)13-8-4-5-9-14(13)17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyIPPDNBGSVZLIMH-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.44
Rot. Bonds4

About 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide

2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide (PubChem CID 51148947) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
PubChem CID51148947
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-16(2,19-10-6-3-7-11-19)12-18-15(20)13-8-4-5-9-14(13)17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyIPPDNBGSVZLIMH-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110413932
N-(2-methyl-2-piperidin-1-ylpropyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55834063
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 114371891
2-hydroxy-4-methoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51186865
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
CID 110622566
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
tert-butyl N-[1-[[(2-bromobenzoyl)amino]methyl]cycloheptyl]carbamate
CID 31862544

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide (CID 51148947) is 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide is CC(C)(CNC(=O)c1ccccc1Br)N1CCCCC1.
What is the InChIKey of 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
The InChIKey is IPPDNBGSVZLIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-16(2,19-10-6-3-7-11-19)12-18-15(20)13-8-4-5-9-14(13)17/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide?
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 51148947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).