N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride

C19H24Cl2N4S — CID 56593713

IUPACN'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN1CCC(c2c[nH]c3cc(/N=C(\N)c4cccs4)ccc23)CC1.Cl.Cl
InChIInChI=1S/C19H22N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22);2*1H
InChIKeyCJKZHLLDNYPKMW-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.92
Rot. Bonds3

About N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 56593713) has the molecular formula C19H24Cl2N4S and a molecular weight of 411.40 g/mol. Its IUPAC name is N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID56593713
Molecular FormulaC19H24Cl2N4S
Molecular Weight411.40 g/mol
Exact Mass410.11
IUPAC NameN'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN1CCC(c2c[nH]c3cc(/N=C(\N)c4cccs4)ccc23)CC1.Cl.Cl
InChIInChI=1S/C19H22N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22);2*1H
InChIKeyCJKZHLLDNYPKMW-UHFFFAOYSA-N
XLogP4.92
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (CID 56593713) is N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is CN1CCC(c2c[nH]c3cc(/N=C(\N)c4cccs4)ccc23)CC1.Cl.Cl.
What is the InChIKey of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is CJKZHLLDNYPKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22);2*1H.
What are the key properties of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 411.40 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-methylpiperidin-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 56593713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).