N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide

C16H21IN4O — CID 166329323

IUPACN-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2n[nH]c3cccc(I)c23)CC1
InChIInChI=1S/C16H21IN4O/c1-21-9-7-11(8-10-21)5-6-14(22)18-16-15-12(17)3-2-4-13(15)19-20-16/h2-4,11H,5-10H2,1H3,(H2,18,19,20,22)
InChIKeyGTGINIDZZWJTRH-UHFFFAOYSA-N
MW412.28 g/mol
LogP3.23
Rot. Bonds4

About N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide

N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 166329323) has the molecular formula C16H21IN4O and a molecular weight of 412.28 g/mol. Its IUPAC name is N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID166329323
Molecular FormulaC16H21IN4O
Molecular Weight412.28 g/mol
Exact Mass412.08
IUPAC NameN-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(CCC(=O)Nc2n[nH]c3cccc(I)c23)CC1
InChIInChI=1S/C16H21IN4O/c1-21-9-7-11(8-10-21)5-6-14(22)18-16-15-12(17)3-2-4-13(15)19-20-16/h2-4,11H,5-10H2,1H3,(H2,18,19,20,22)
InChIKeyGTGINIDZZWJTRH-UHFFFAOYSA-N
XLogP3.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 115274071
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 162635235
N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 47090311
2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
CID 110470956
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide (CID 166329323) is N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide is CN1CCC(CCC(=O)Nc2n[nH]c3cccc(I)c23)CC1.
What is the InChIKey of N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is GTGINIDZZWJTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4O/c1-21-9-7-11(8-10-21)5-6-14(22)18-16-15-12(17)3-2-4-13(15)19-20-16/h2-4,11H,5-10H2,1H3,(H2,18,19,20,22).
What are the key properties of N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide?
N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 412.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-1H-indazol-3-yl)-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 166329323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).