N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide

C19H21IN4OS — CID 145480764

IUPACN'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide
SMILESCC1C(=O)N(C2CCN(I)CC2)c2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C19H21IN4OS/c1-12-15-11-13(22-18(21)17-3-2-10-26-17)4-5-16(15)24(19(12)25)14-6-8-23(20)9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22)
InChIKeyMWWUHGCPJLSNSW-UHFFFAOYSA-N
MW480.38 g/mol
LogP4.05
Rot. Bonds3

About N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide

N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 145480764) has the molecular formula C19H21IN4OS and a molecular weight of 480.38 g/mol. Its IUPAC name is N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID145480764
Molecular FormulaC19H21IN4OS
Molecular Weight480.38 g/mol
Exact Mass480.05
IUPAC NameN'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide
SMILESCC1C(=O)N(C2CCN(I)CC2)c2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C19H21IN4OS/c1-12-15-11-13(22-18(21)17-3-2-10-26-17)4-5-16(15)24(19(12)25)14-6-8-23(20)9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22)
InChIKeyMWWUHGCPJLSNSW-UHFFFAOYSA-N
XLogP4.05
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N'-[1-[2-(dimethylamino)ethyl]-2-methylidene-4,5-dihydro-3H-1-benzazepin-7-yl]thiophene-2-carboximidamide;N'-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide;N'-[1-(1-methylpiperidin-4-yl)-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide;bis(N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-carboximidamide)
CID 158446939
4-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]piperidine-1-carboxylic acid
CID 67492758
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-2-oxo-3,4-dihydroquinolin-6-yl]thiophene-2-carboximidamide
CID 53391875
N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-carboximidamide
CID 10199347
N'-(1-piperidin-4-yl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboximidamide;dihydrochloride
CID 90665208
N'-(1-piperidin-4-yl-2,3-dihydroindol-6-yl)thiophene-2-carboximidamide
CID 56950186
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336
ethane;N'-[1-(oxan-4-yl)indol-5-yl]thiophene-2-carboximidamide
CID 143559882
N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
CID 70141265
N'-[4-[2-(methylamino)ethyl]-2,3-dihydro-1,4-benzothiazin-7-yl]thiophene-2-carboximidamide
CID 44546584

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide (CID 145480764) is N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide is CC1C(=O)N(C2CCN(I)CC2)c2ccc(/N=C(\N)c3cccs3)cc21.
What is the InChIKey of N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is MWWUHGCPJLSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN4OS/c1-12-15-11-13(22-18(21)17-3-2-10-26-17)4-5-16(15)24(19(12)25)14-6-8-23(20)9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22).
What are the key properties of N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide?
N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 480.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-iodopiperidin-4-yl)-3-methyl-2-oxo-3H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 145480764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).