N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide

C20H24N4S — CID 15951132

IUPACN'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1
InChIInChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22)
InChIKeyFKCNYVLXQRSYPN-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.23
Rot. Bonds5

About N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide

N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15951132) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide
PubChem CID15951132
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1
InChIInChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22)
InChIKeyFKCNYVLXQRSYPN-UHFFFAOYSA-N
XLogP4.23
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide (CID 15951132) is N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1.
What is the InChIKey of N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is FKCNYVLXQRSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23/h4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22).
What are the key properties of N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide?
N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 352.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).