N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide

C24H32N4O3 — CID 25094115

IUPACN-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NCCN3CCC(O)CC3)cc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N4O3/c1-16-22-20(14-24(2,3)15-21(22)30)28(26-16)18-6-4-17(5-7-18)23(31)25-10-13-27-11-8-19(29)9-12-27/h4-7,19,29H,8-15H2,1-3H3,(H,25,31)
InChIKeySMIRHANLINLCPY-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide

N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide (PubChem CID 25094115) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
PubChem CID25094115
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)NCCN3CCC(O)CC3)cc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C24H32N4O3/c1-16-22-20(14-24(2,3)15-21(22)30)28(26-16)18-6-4-17(5-7-18)23(31)25-10-13-27-11-8-19(29)9-12-27/h4-7,19,29H,8-15H2,1-3H3,(H,25,31)
InChIKeySMIRHANLINLCPY-UHFFFAOYSA-N
XLogP2.52
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 46364431
N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide
CID 139254204
1-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 46364400
2-[(1-methylpiperidin-4-yl)amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952812
N-cycloheptyl-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
CID 46364382
4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2-[3-[2-[2-[2-[2-[3-[(3-trimethylstannylbenzoyl)amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]benzamide
CID 90035510
2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 25094076
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55716610
2-[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 90075515
2-[[(3S,4R)-3,4-dihydroxycyclohexyl]amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952622
2-methyl-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
CID 118214926
N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 154070026

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide (CID 25094115) is N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide is Cc1nn(-c2ccc(C(=O)NCCN3CCC(O)CC3)cc2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The InChIKey is SMIRHANLINLCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-22-20(14-24(2,3)15-21(22)30)28(26-16)18-6-4-17(5-7-18)23(31)25-10-13-27-11-8-19(29)9-12-27/h4-7,19,29H,8-15H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide is sourced from PubChem (CID 25094115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).