N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide

C18H24N4O2 — CID 52768718

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H24N4O2/c1-12(2)11-16(23)22-9-7-13(8-10-22)19-18(24)17-14-5-3-4-6-15(14)20-21-17/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyZHNKBHWFRSBRNW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.33
Rot. Bonds4

About N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 52768718) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
PubChem CID52768718
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C18H24N4O2/c1-12(2)11-16(23)22-9-7-13(8-10-22)19-18(24)17-14-5-3-4-6-15(14)20-21-17/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyZHNKBHWFRSBRNW-UHFFFAOYSA-N
XLogP2.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
CID 67767241
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119545241
N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
N-[3-oxo-3-(4-propanoylpiperazin-1-yl)propyl]-1H-indazole-3-carboxamide
CID 99434343

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 52768718) is N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide is CC(C)CC(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is ZHNKBHWFRSBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)11-16(23)22-9-7-13(8-10-22)19-18(24)17-14-5-3-4-6-15(14)20-21-17/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 52768718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).