1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid

C15H19BrN2O3 — CID 63124915

IUPAC1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O3/c1-15(14(20)21)5-7-18(8-6-15)10-13(19)17-12-4-2-3-11(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyUOJRNPWOZGGQCJ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid

1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124915) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124915
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O3/c1-15(14(20)21)5-7-18(8-6-15)10-13(19)17-12-4-2-3-11(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,17,19)(H,20,21)
InChIKeyUOJRNPWOZGGQCJ-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 107161677
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2124819
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(3-bromophenyl)-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
CID 63602299
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(3-bromophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993927
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid (CID 63124915) is 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(CC(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is UOJRNPWOZGGQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-15(14(20)21)5-7-18(8-6-15)10-13(19)17-12-4-2-3-11(16)9-12/h2-4,9H,5-8,10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid?
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).