1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

C12H14BrNO3S — CID 55165489

IUPAC1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C12H14BrNO3S/c1-12(11(16)17)3-2-4-14(7-12)10(15)8-5-9(13)18-6-8/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyKAMWZNZONMAKNC-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.84
Rot. Bonds2

About 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid

1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 55165489) has the molecular formula C12H14BrNO3S and a molecular weight of 332.22 g/mol. Its IUPAC name is 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID55165489
Molecular FormulaC12H14BrNO3S
Molecular Weight332.22 g/mol
Exact Mass330.99
IUPAC Name1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C12H14BrNO3S/c1-12(11(16)17)3-2-4-14(7-12)10(15)8-5-9(13)18-6-8/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyKAMWZNZONMAKNC-UHFFFAOYSA-N
XLogP2.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
1-(3-amino-4-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107813100
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
1-(4-hydroxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55166833
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
1-(4-chlorobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 55167027
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
3-methyl-1-(5-methylsulfonylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688166
1-(5-bromothiophene-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145761
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid (CID 55165489) is 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2csc(Br)c2)C1.
What is the InChIKey of 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is KAMWZNZONMAKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3S/c1-12(11(16)17)3-2-4-14(7-12)10(15)8-5-9(13)18-6-8/h5-6H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid?
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 332.22 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55165489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).