N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide

C23H22N4OS2 — CID 15951336

IUPACN'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4cccs4)CC3)c2c1)c1cccs1
InChIInChI=1S/C23H22N4OS2/c24-22(20-3-1-11-29-20)26-16-5-6-19-17(13-16)18(14-25-19)15-7-9-27(10-8-15)23(28)21-4-2-12-30-21/h1-6,11-15,25H,7-10H2,(H2,24,26)
InChIKeyKBQDIKBMHNQJSA-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.35
Rot. Bonds4

About N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 15951336) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID15951336
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC NameN'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4cccs4)CC3)c2c1)c1cccs1
InChIInChI=1S/C23H22N4OS2/c24-22(20-3-1-11-29-20)26-16-5-6-19-17(13-16)18(14-25-19)15-7-9-27(10-8-15)23(28)21-4-2-12-30-21/h1-6,11-15,25H,7-10H2,(H2,24,26)
InChIKeyKBQDIKBMHNQJSA-UHFFFAOYSA-N
XLogP5.35
TPSA74.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.35
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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Related Compounds

[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113087464
N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 159028072
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
N'-(3-propan-2-yl-1H-indol-5-yl)thiophene-2-carboximidamide
CID 89354304
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580370
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628866
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 167745823
N'-[3-[4-(dimethylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(dimethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(ethylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexen-1-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[4-(methylamino)cyclohexyl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 162162229
N'-[3-(1-piperidin-4-ylethenyl)-1H-indol-6-yl]thiophene-2-carboximidamide
CID 89329509
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425

Frequently Asked Questions

What is the IUPAC name of N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide (CID 15951336) is N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2[nH]cc(C3CCN(C(=O)c4cccs4)CC3)c2c1)c1cccs1.
What is the InChIKey of N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is KBQDIKBMHNQJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c24-22(20-3-1-11-29-20)26-16-5-6-19-17(13-16)18(14-25-19)15-7-9-27(10-8-15)23(28)21-4-2-12-30-21/h1-6,11-15,25H,7-10H2,(H2,24,26).
What are the key properties of N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide?
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 434.59 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15951336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).