N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide

C20H26N4S — CID 89321382

IUPACN'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide
SMILESCC(C1CCNCC1)C1CNc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C20H26N4S/c1-13(14-6-8-22-9-7-14)17-12-23-18-11-15(4-5-16(17)18)24-20(21)19-3-2-10-25-19/h2-5,10-11,13-14,17,22-23H,6-9,12H2,1H3,(H2,21,24)
InChIKeyAOPYUKJYCQAIKG-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.93
Rot. Bonds4

About N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide

N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide (PubChem CID 89321382) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide
PubChem CID89321382
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC NameN'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide
SMILESCC(C1CCNCC1)C1CNc2cc(/N=C(\N)c3cccs3)ccc21
InChIInChI=1S/C20H26N4S/c1-13(14-6-8-22-9-7-14)17-12-23-18-11-15(4-5-16(17)18)24-20(21)19-3-2-10-25-19/h2-5,10-11,13-14,17,22-23H,6-9,12H2,1H3,(H2,21,24)
InChIKeyAOPYUKJYCQAIKG-UHFFFAOYSA-N
XLogP3.93
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
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'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide (CID 89321382) is N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide is CC(C1CCNCC1)C1CNc2cc(/N=C(\N)c3cccs3)ccc21.
What is the InChIKey of N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is AOPYUKJYCQAIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-13(14-6-8-22-9-7-14)17-12-23-18-11-15(4-5-16(17)18)24-20(21)19-3-2-10-25-19/h2-5,10-11,13-14,17,22-23H,6-9,12H2,1H3,(H2,21,24).
What are the key properties of N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide?
N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 354.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-piperidin-4-ylethyl)-2,3-dihydro-1H-indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 89321382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).