N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide

C25H32N4O2 — CID 24946469

IUPACN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
SMILESCOc1ccc(CCN2CCC(CN(C)C(=O)c3c4ccccc4nn3C)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-27(25(30)24-22-6-4-5-7-23(22)26-28(24)2)18-20-13-16-29(17-14-20)15-12-19-8-10-21(31-3)11-9-19/h4-11,20H,12-18H2,1-3H3
InChIKeyCLJVZJKVNDKKKU-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.61
Rot. Bonds7

About N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide (PubChem CID 24946469) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
PubChem CID24946469
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
SMILESCOc1ccc(CCN2CCC(CN(C)C(=O)c3c4ccccc4nn3C)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-27(25(30)24-22-6-4-5-7-23(22)26-28(24)2)18-20-13-16-29(17-14-20)15-12-19-8-10-21(31-3)11-9-19/h4-11,20H,12-18H2,1-3H3
InChIKeyCLJVZJKVNDKKKU-UHFFFAOYSA-N
XLogP3.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
CID 24802626
N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
CID 68704267
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 42456744
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
CID 24946470
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol
CID 42463612
methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylcarbamoyl]benzoate
CID 25446804
2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
CID 24946465

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide (CID 24946469) is N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide is COc1ccc(CCN2CCC(CN(C)C(=O)c3c4ccccc4nn3C)CC2)cc1.
What is the InChIKey of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide?
The InChIKey is CLJVZJKVNDKKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-27(25(30)24-22-6-4-5-7-23(22)26-28(24)2)18-20-13-16-29(17-14-20)15-12-19-8-10-21(31-3)11-9-19/h4-11,20H,12-18H2,1-3H3.
What are the key properties of N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide?
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide is sourced from PubChem (CID 24946469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).