3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide

C12H15BrN2O2 — CID 82800343

IUPAC3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
SMILESNC(=O)c1ccc(O[C@H]2CCCNC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O2/c13-10-6-8(12(14)16)3-4-11(10)17-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H2,14,16)/t9-/m0/s1
InChIKeyYPNOWZVUPVQPNE-VIFPVBQESA-N
MW299.17 g/mol
LogP1.68
Rot. Bonds3

About 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide

3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide (PubChem CID 82800343) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide.

Molecular Properties

Compound Name3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
PubChem CID82800343
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide
SMILESNC(=O)c1ccc(O[C@H]2CCCNC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O2/c13-10-6-8(12(14)16)3-4-11(10)17-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H2,14,16)/t9-/m0/s1
InChIKeyYPNOWZVUPVQPNE-VIFPVBQESA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
4-[(3R)-piperidin-3-yl]oxybenzamide
CID 42553466
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713
6-[(3S)-piperidin-3-yl]oxypyridine-3-carboxamide
CID 66246010
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide?
The IUPAC name of 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide (CID 82800343) is 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide.
What is the SMILES notation for 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide?
The canonical SMILES for 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide is NC(=O)c1ccc(O[C@H]2CCCNC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide?
The InChIKey is YPNOWZVUPVQPNE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-6-8(12(14)16)3-4-11(10)17-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7H2,(H2,14,16)/t9-/m0/s1.
What are the key properties of 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide?
3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide has a molecular weight of 299.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3S)-piperidin-3-yl]oxybenzamide is sourced from PubChem (CID 82800343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).