N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide

C18H20N4S — CID 134821993

IUPACN'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(ccn2C2CCNCC2)c1)c1cccs1
InChIInChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)
InChIKeyXLCWIOAUURXLIX-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.66
Rot. Bonds3

About N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide

N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide (PubChem CID 134821993) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide
PubChem CID134821993
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(ccn2C2CCNCC2)c1)c1cccs1
InChIInChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21)
InChIKeyXLCWIOAUURXLIX-UHFFFAOYSA-N
XLogP3.66
TPSA55.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
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-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide (CID 134821993) is N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide is N/C(=N\c1ccc2c(ccn2C2CCNCC2)c1)c1cccs1.
What is the InChIKey of N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide?
The InChIKey is XLCWIOAUURXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2,(H2,19,21).
What are the key properties of N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide?
N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide has a molecular weight of 324.45 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-piperidin-4-ylindol-5-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 134821993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).