N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium

C17H24N4OV — CID 159657353

IUPACN-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
SMILESCC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21.[V]
InChIInChI=1S/C17H24N4O.V/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13;/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22);
InChIKeyMSIOOMCRVFVKOS-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.34
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium

N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium (PubChem CID 159657353) has the molecular formula C17H24N4OV and a molecular weight of 351.35 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
PubChem CID159657353
Molecular FormulaC17H24N4OV
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC NameN-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
SMILESCC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21.[V]
InChIInChI=1S/C17H24N4O.V/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13;/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22);
InChIKeyMSIOOMCRVFVKOS-UHFFFAOYSA-N
XLogP2.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829633
(2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
CID 67270268
N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171346845
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
1-methyl-3-phenyl-N-(piperidin-4-ylmethyl)pyrazole-5-carboxamide
CID 138055578

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium?
The IUPAC name of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium (CID 159657353) is N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium is CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc21.[V].
What is the InChIKey of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium?
The InChIKey is MSIOOMCRVFVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.V/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13;/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22);.
What are the key properties of N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium?
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium has a molecular weight of 351.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium is sourced from PubChem (CID 159657353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).