(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide

C16H23BrN2O2 — CID 27232899

IUPAC(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCC[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H23BrN2O2/c1-3-15(21-14-6-4-12(17)5-7-14)16(20)18-13-8-10-19(2)11-9-13/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyVQTMYJLNTVHMHN-OAHLLOKOSA-N
MW355.28 g/mol
LogP2.82
Rot. Bonds5

About (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide

(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 27232899) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID27232899
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCC[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H23BrN2O2/c1-3-15(21-14-6-4-12(17)5-7-14)16(20)18-13-8-10-19(2)11-9-13/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyVQTMYJLNTVHMHN-OAHLLOKOSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)butanamide
CID 100600808
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
(2R)-2-(4-methoxyphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971602
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide (CID 27232899) is (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide is CC[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is VQTMYJLNTVHMHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-15(21-14-6-4-12(17)5-7-14)16(20)18-13-8-10-19(2)11-9-13/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 355.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 27232899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).