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

C24H30N4O3 — CID 68704267

IUPACN-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
SMILESCOc1ccc2nn(C)c(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1
InChIInChI=1S/C24H30N4O3/c1-27-23(21-15-20(31-2)7-8-22(21)26-27)24(30)25-16-18-10-13-28(14-11-18)12-9-17-3-5-19(29)6-4-17/h3-8,15,18,29H,9-14,16H2,1-2H3,(H,25,30)
InChIKeyZEYFSJQLOVAWAE-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.97
Rot. Bonds7

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

N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide (PubChem CID 68704267) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
PubChem CID68704267
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
SMILESCOc1ccc2nn(C)c(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1
InChIInChI=1S/C24H30N4O3/c1-27-23(21-15-20(31-2)7-8-22(21)26-27)24(30)25-16-18-10-13-28(14-11-18)12-9-17-3-5-19(29)6-4-17/h3-8,15,18,29H,9-14,16H2,1-2H3,(H,25,30)
InChIKeyZEYFSJQLOVAWAE-UHFFFAOYSA-N
XLogP2.97
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
CID 24946465
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
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
CID 24946470
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
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
tert-butyl 4-[1-tert-butyl-4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methylcarbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46280448
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one
CID 70610696
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide (CID 68704267) is N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide is COc1ccc2nn(C)c(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1.
What is the InChIKey of N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide?
The InChIKey is ZEYFSJQLOVAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27-23(21-15-20(31-2)7-8-22(21)26-27)24(30)25-16-18-10-13-28(14-11-18)12-9-17-3-5-19(29)6-4-17/h3-8,15,18,29H,9-14,16H2,1-2H3,(H,25,30).
What are the key properties of N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide?
N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide is sourced from PubChem (CID 68704267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).