N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride

C23H28ClFN4O — CID 24802626

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN4O.ClH/c1-27-22(20-4-2-3-5-21(20)26-27)23(29)25-16-18-11-14-28(15-12-18)13-10-17-6-8-19(24)9-7-17;/h2-9,18H,10-16H2,1H3,(H,25,29);1H
InChIKeyMMUVSLJLPZAHQS-UHFFFAOYSA-N
MW430.96 g/mol
LogP3.82
Rot. Bonds6

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride (PubChem CID 24802626) has the molecular formula C23H28ClFN4O and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
PubChem CID24802626
Molecular FormulaC23H28ClFN4O
Molecular Weight430.96 g/mol
Exact Mass430.19
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN4O.ClH/c1-27-22(20-4-2-3-5-21(20)26-27)23(29)25-16-18-11-14-28(15-12-18)13-10-17-6-8-19(24)9-7-17;/h2-9,18H,10-16H2,1H3,(H,25,29);1H
InChIKeyMMUVSLJLPZAHQS-UHFFFAOYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(2-methoxyethyl)indazole-3-carboxamide;hydrochloride
CID 24946470
N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxy-2-methylindazole-3-carboxamide
CID 68704267
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylindazole-3-carboxamide
CID 24946469
tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 171479743
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
2-ethyl-N-[[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]methyl]-5-methoxyindazole-3-carboxamide
CID 24946465
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209371
N-[[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide;hydrochloride
CID 11362763
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride (CID 24802626) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride is Cl.Cn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride?
The InChIKey is MMUVSLJLPZAHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O.ClH/c1-27-22(20-4-2-3-5-21(20)26-27)23(29)25-16-18-11-14-28(15-12-18)13-10-17-6-8-19(24)9-7-17;/h2-9,18H,10-16H2,1H3,(H,25,29);1H.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride has a molecular weight of 430.96 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24802626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).