2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide

C25H32N4O3 — CID 24946465

IUPAC2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
SMILESCCn1nc2ccc(OC)cc2c1C(=O)NCC1CCN(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-3-29-24(22-16-21(32-2)8-9-23(22)27-29)25(31)26-17-19-11-14-28(15-12-19)13-10-18-4-6-20(30)7-5-18/h4-9,16,19,30H,3,10-15,17H2,1-2H3,(H,26,31)
InChIKeyMKUDXCSOIZLANS-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.45
Rot. Bonds8

About 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide

2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide (PubChem CID 24946465) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
PubChem CID24946465
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
SMILESCCn1nc2ccc(OC)cc2c1C(=O)NCC1CCN(CCc2ccc(O)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-3-29-24(22-16-21(32-2)8-9-23(22)27-29)25(31)26-17-19-11-14-28(15-12-19)13-10-18-4-6-20(30)7-5-18/h4-9,16,19,30H,3,10-15,17H2,1-2H3,(H,26,31)
InChIKeyMKUDXCSOIZLANS-UHFFFAOYSA-N
XLogP3.45
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
CID 68704267
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
CID 24946470
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
CID 24802626
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
CID 24946469
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
[4-[2-(4-hydroxyphenyl)ethyl]piperazin-1-yl]-(5-methoxy-2-methyl-1-propylindol-3-yl)methanone;N-methylmethanamine
CID 144846953
[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid
CID 68707772
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide (CID 24946465) is 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide is CCn1nc2ccc(OC)cc2c1C(=O)NCC1CCN(CCc2ccc(O)cc2)CC1.
What is the InChIKey of 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide?
The InChIKey is MKUDXCSOIZLANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-29-24(22-16-21(32-2)8-9-23(22)27-29)25(31)26-17-19-11-14-28(15-12-19)13-10-18-4-6-20(30)7-5-18/h4-9,16,19,30H,3,10-15,17H2,1-2H3,(H,26,31).
What are the key properties of 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide?
2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide is sourced from PubChem (CID 24946465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).