N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide

C18H22N4S — CID 56950186

IUPACN'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(C1CCNCC1)CC2)c1cccs1
InChIInChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-4-3-13-7-10-22(16(13)12-14)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
InChIKeyUPJPJWIIGRLJBK-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.90
Rot. Bonds3

About N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide

N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide (PubChem CID 56950186) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
PubChem CID56950186
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC NameN'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)N(C1CCNCC1)CC2)c1cccs1
InChIInChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-4-3-13-7-10-22(16(13)12-14)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
InChIKeyUPJPJWIIGRLJBK-UHFFFAOYSA-N
XLogP2.90
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.90
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-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide (CID 56950186) is N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide is N/C(=N\c1ccc2c(c1)N(C1CCNCC1)CC2)c1cccs1.
What is the InChIKey of N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
The InChIKey is UPJPJWIIGRLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-4-3-13-7-10-22(16(13)12-14)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21).
What are the key properties of N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide?
N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide has a molecular weight of 326.47 g/mol, XLogP of 2.90, 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-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 56950186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).