2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid

C14H18N2O4S — CID 104594699

IUPAC2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S/c1-14(13(19)20)6-2-3-7-16(14)11(17)9-15-12(18)10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18)(H,19,20)
InChIKeyCKQZGZGAMGHZGQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.33
Rot. Bonds4

About 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid

2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 104594699) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID104594699
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S/c1-14(13(19)20)6-2-3-7-16(14)11(17)9-15-12(18)10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18)(H,19,20)
InChIKeyCKQZGZGAMGHZGQ-UHFFFAOYSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-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

3-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 63146495
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598346
1-[[[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445135
N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
ethyl 4-[2-(thiophene-2-carbonylamino)acetyl]piperazine-1-carboxylate
CID 2622962
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid (CID 104594699) is 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)CNC(=O)c1cccs1.
What is the InChIKey of 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is CKQZGZGAMGHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-14(13(19)20)6-2-3-7-16(14)11(17)9-15-12(18)10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104594699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).