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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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).