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

C13H16N2O4S — CID 43356026

IUPAC1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCCCC1C(=O)O)c1cccs1
InChIInChI=1S/C13H16N2O4S/c16-11(8-14-12(17)10-5-3-7-20-10)15-6-2-1-4-9(15)13(18)19/h3,5,7,9H,1-2,4,6,8H2,(H,14,17)(H,18,19)
InChIKeyPDUCDIXIUSPPTB-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.94
Rot. Bonds4

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

1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid (PubChem CID 43356026) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
PubChem CID43356026
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CCCCC1C(=O)O)c1cccs1
InChIInChI=1S/C13H16N2O4S/c16-11(8-14-12(17)10-5-3-7-20-10)15-6-2-1-4-9(15)13(18)19/h3,5,7,9H,1-2,4,6,8H2,(H,14,17)(H,18,19)
InChIKeyPDUCDIXIUSPPTB-UHFFFAOYSA-N
XLogP0.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 136526356
(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144843
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200
1-[2-[(3-fluorobenzoyl)amino]acetyl]piperidine-2-carboxylic acid
CID 120515000
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
N-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 18153023
N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 23461482
N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 154743258
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-[2-oxo-2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9037224

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid (CID 43356026) is 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid is O=C(NCC(=O)N1CCCCC1C(=O)O)c1cccs1.
What is the InChIKey of 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
The InChIKey is PDUCDIXIUSPPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-11(8-14-12(17)10-5-3-7-20-10)15-6-2-1-4-9(15)13(18)19/h3,5,7,9H,1-2,4,6,8H2,(H,14,17)(H,18,19).
What are the key properties of 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid?
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid has a molecular weight of 296.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43356026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).