N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

C22H32N4O3 — CID 171346845

IUPACN-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2(O)CCN(CC3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N4O3/c1-16(2)26-19-6-4-3-5-18(19)20(24-26)21(27)23-22(28)9-11-25(12-10-22)15-17-7-13-29-14-8-17/h3-6,16-17,28H,7-15H2,1-2H3,(H,23,27)
InChIKeyZJJDIBWHIPPILQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.56
Rot. Bonds5

About N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 171346845) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID171346845
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2(O)CCN(CC3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N4O3/c1-16(2)26-19-6-4-3-5-18(19)20(24-26)21(27)23-22(28)9-11-25(12-10-22)15-17-7-13-29-14-8-17/h3-6,16-17,28H,7-15H2,1-2H3,(H,23,27)
InChIKeyZJJDIBWHIPPILQ-UHFFFAOYSA-N
XLogP2.56
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxybutanedioic acid;N-[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171352575
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
N-(piperidin-4-ylmethyl)-1-propan-2-ylindazole-3-carboxamide;vanadium
CID 159657353
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
3-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl]-1-propan-2-ylindazole
CID 141414783
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829648
4-hydroxy-1-(2-methylpropyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-oxoquinoline-3-carboxamide
CID 54730248

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (CID 171346845) is N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2(O)CCN(CC3CCOCC3)CC2)c2ccccc21.
What is the InChIKey of N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is ZJJDIBWHIPPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-16(2)26-19-6-4-3-5-18(19)20(24-26)21(27)23-22(28)9-11-25(12-10-22)15-17-7-13-29-14-8-17/h3-6,16-17,28H,7-15H2,1-2H3,(H,23,27).
What are the key properties of N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-1-(oxan-4-ylmethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 171346845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).