6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid

C15H20N2O4S — CID 122083803

IUPAC6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S/c1-10-4-5-11(15(20)21)9-17(10)13(18)6-7-16-14(19)12-3-2-8-22-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,19)(H,20,21)
InChIKeyCFZSJIMCDYDUSH-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.58
Rot. Bonds5

About 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid

6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 122083803) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
PubChem CID122083803
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C15H20N2O4S/c1-10-4-5-11(15(20)21)9-17(10)13(18)6-7-16-14(19)12-3-2-8-22-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,19)(H,20,21)
InChIKeyCFZSJIMCDYDUSH-UHFFFAOYSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172253
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113705
6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
CID 122113359
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
N-[3-[(3S)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788864
N-[3-[(3R)-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 99788863
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
1-[3-[(2-fluorophenyl)sulfonylamino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114437
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid (CID 122083803) is 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)CCNC(=O)c1cccs1.
What is the InChIKey of 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is CFZSJIMCDYDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-4-5-11(15(20)21)9-17(10)13(18)6-7-16-14(19)12-3-2-8-22-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid?
6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122083803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).