N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide

C16H21BrN2O2 — CID 79536734

IUPACN-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
SMILESCC(=O)CC1CCCCN1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-12(20)9-15-7-2-3-8-19(15)11-16(21)18-14-6-4-5-13(17)10-14/h4-6,10,15H,2-3,7-9,11H2,1H3,(H,18,21)
InChIKeyIPZSUNXHAOCBCC-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.22
Rot. Bonds5

About N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide

N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide (PubChem CID 79536734) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
PubChem CID79536734
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC NameN-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
SMILESCC(=O)CC1CCCCN1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O2/c1-12(20)9-15-7-2-3-8-19(15)11-16(21)18-14-6-4-5-13(17)10-14/h4-6,10,15H,2-3,7-9,11H2,1H3,(H,18,21)
InChIKeyIPZSUNXHAOCBCC-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
N-(4-fluorophenyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546400
2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
CID 47104594
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
CID 103353042
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-methyl-3-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 42890543
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide (CID 79536734) is N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide is CC(=O)CC1CCCCN1CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide?
The InChIKey is IPZSUNXHAOCBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-12(20)9-15-7-2-3-8-19(15)11-16(21)18-14-6-4-5-13(17)10-14/h4-6,10,15H,2-3,7-9,11H2,1H3,(H,18,21).
What are the key properties of N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide?
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide has a molecular weight of 353.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 79536734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).