3-bromo-4-(piperidin-3-ylmethoxy)benzamide

C13H17BrN2O2 — CID 82801075

IUPAC3-bromo-4-(piperidin-3-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCNC2)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c14-11-6-10(13(15)17)3-4-12(11)18-8-9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,17)
InChIKeyTUDBMBPCVVYSBY-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.93
Rot. Bonds4

About 3-bromo-4-(piperidin-3-ylmethoxy)benzamide

3-bromo-4-(piperidin-3-ylmethoxy)benzamide (PubChem CID 82801075) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-bromo-4-(piperidin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-4-(piperidin-3-ylmethoxy)benzamide
PubChem CID82801075
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-bromo-4-(piperidin-3-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCNC2)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c14-11-6-10(13(15)17)3-4-12(11)18-8-9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,17)
InChIKeyTUDBMBPCVVYSBY-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(cyclopropylmethoxy)benzamide
CID 138985778
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
CID 82800343
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
(3R)-3-[(2-bromo-4-phenylphenoxy)methyl]piperidine
CID 86322131
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
1-[3-bromo-4-(cyclopentylmethoxy)phenyl]ethanone
CID 66322201
(3R)-3-[[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]methyl]piperidine
CID 86322185
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251
3-(piperidin-3-ylmethoxymethyl)benzamide
CID 62340748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(piperidin-3-ylmethoxy)benzamide?
The IUPAC name of 3-bromo-4-(piperidin-3-ylmethoxy)benzamide (CID 82801075) is 3-bromo-4-(piperidin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-bromo-4-(piperidin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-bromo-4-(piperidin-3-ylmethoxy)benzamide is NC(=O)c1ccc(OCC2CCCNC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(piperidin-3-ylmethoxy)benzamide?
The InChIKey is TUDBMBPCVVYSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-6-10(13(15)17)3-4-12(11)18-8-9-2-1-5-16-7-9/h3-4,6,9,16H,1-2,5,7-8H2,(H2,15,17).
What are the key properties of 3-bromo-4-(piperidin-3-ylmethoxy)benzamide?
3-bromo-4-(piperidin-3-ylmethoxy)benzamide has a molecular weight of 313.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(piperidin-3-ylmethoxy)benzamide is sourced from PubChem (CID 82801075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).