N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

C15H21BrN2O — CID 8930765

IUPACN-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O/c1-11-7-12(2)9-18(8-11)10-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyNZLBNYQLGAJOJU-RYUDHWBXSA-N
MW325.25 g/mol
LogP3.37
Rot. Bonds3

About N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 8930765) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
PubChem CID8930765
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O/c1-11-7-12(2)9-18(8-11)10-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyNZLBNYQLGAJOJU-RYUDHWBXSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8541617
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 8930746
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-bromophenyl)acetamide;hydrochloride
CID 120760737
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
CID 95785992

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (CID 8930765) is N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2Br)C1.
What is the InChIKey of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The InChIKey is NZLBNYQLGAJOJU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-7-12(2)9-18(8-11)10-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8930765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).