1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

C16H18N2O3S — CID 122102767

IUPAC1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2csc3ccccc23)C1
InChIInChI=1S/C16H18N2O3S/c1-10-6-11(15(19)20)8-18(7-10)16(21)17-13-9-22-14-5-3-2-4-12(13)14/h2-5,9-11H,6-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyZMRNPWLFGTYUNJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.48
Rot. Bonds2

About 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102767) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122102767
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2csc3ccccc23)C1
InChIInChI=1S/C16H18N2O3S/c1-10-6-11(15(19)20)8-18(7-10)16(21)17-13-9-22-14-5-3-2-4-12(13)14/h2-5,9-11H,6-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyZMRNPWLFGTYUNJ-UHFFFAOYSA-N
XLogP3.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-3-ylcarbamoyl)-5-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-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122089108
1-[[2-(1,1-difluoroethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103223
1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102272
1-[[2-(difluoromethylsulfanyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101912
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
5-methyl-1-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101998
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102597

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (CID 122102767) is 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2csc3ccccc23)C1.
What is the InChIKey of 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ZMRNPWLFGTYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-6-11(15(19)20)8-18(7-10)16(21)17-13-9-22-14-5-3-2-4-12(13)14/h2-5,9-11H,6-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).