N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride

C18H24Cl2N4S — CID 67492912

IUPACN'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)CCN2C1CCNCC1)c1cccs1
InChIInChI=1S/C18H22N4S.2ClH/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;;/h1-4,11-12,15,20H,5-10H2,(H2,19,21);2*1H
InChIKeyHDNGVXJSXBNEAX-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.74
Rot. Bonds3

About N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride

N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride (PubChem CID 67492912) has the molecular formula C18H24Cl2N4S and a molecular weight of 399.39 g/mol. Its IUPAC name is N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride
PubChem CID67492912
Molecular FormulaC18H24Cl2N4S
Molecular Weight399.39 g/mol
Exact Mass398.11
IUPAC NameN'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccc2c(c1)CCN2C1CCNCC1)c1cccs1
InChIInChI=1S/C18H22N4S.2ClH/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;;/h1-4,11-12,15,20H,5-10H2,(H2,19,21);2*1H
InChIKeyHDNGVXJSXBNEAX-UHFFFAOYSA-N
XLogP3.74
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.74
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-5-yl)thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride (CID 67492912) is N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccc2c(c1)CCN2C1CCNCC1)c1cccs1.
What is the InChIKey of N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is HDNGVXJSXBNEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S.2ClH/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;;/h1-4,11-12,15,20H,5-10H2,(H2,19,21);2*1H.
What are the key properties of N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride?
N'-(1-piperidin-4-yl-2,3-dihydroindol-5-yl)thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 399.39 g/mol, XLogP of 3.74, 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-5-yl)thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 67492912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).