2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid

C13H19N3O3S — CID 63114425

IUPAC2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCCN1CCCC(NC(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O3S/c1-2-16-6-3-4-9(8-16)14-13(19)15-11-10(12(17)18)5-7-20-11/h5,7,9H,2-4,6,8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyMVGVUXNFBMLBRP-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.05
Rot. Bonds4

About 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid

2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114425) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114425
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCCN1CCCC(NC(=O)Nc2sccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O3S/c1-2-16-6-3-4-9(8-16)14-13(19)15-11-10(12(17)18)5-7-20-11/h5,7,9H,2-4,6,8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyMVGVUXNFBMLBRP-UHFFFAOYSA-N
XLogP2.05
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114043
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-[(3S)-1-ethylpiperidin-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 94400531
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoylamino]thiophene-3-carboxylic acid
CID 107223856
1-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 124737020
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-ethylpiperidin-3-yl)urea
CID 75404998
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid (CID 63114425) is 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid is CCN1CCCC(NC(=O)Nc2sccc2C(=O)O)C1.
What is the InChIKey of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is MVGVUXNFBMLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-16-6-3-4-9(8-16)14-13(19)15-11-10(12(17)18)5-7-20-11/h5,7,9H,2-4,6,8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).