N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide

C23H28N4O — CID 59159183

IUPACN-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C23H28N4O/c1-17(28)24-13-19-4-2-5-20(11-19)15-27-9-3-6-21(16-27)10-18-7-8-23-22(12-18)14-25-26-23/h2,4-5,7-8,11-12,14,21H,3,6,9-10,13,15-16H2,1H3,(H,24,28)(H,25,26)/t21-/m0/s1
InChIKeyFENPVOQLZCBPRG-NRFANRHFSA-N
MW376.50 g/mol
LogP3.65
Rot. Bonds6

About N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 59159183) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID59159183
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C23H28N4O/c1-17(28)24-13-19-4-2-5-20(11-19)15-27-9-3-6-21(16-27)10-18-7-8-23-22(12-18)14-25-26-23/h2,4-5,7-8,11-12,14,21H,3,6,9-10,13,15-16H2,1H3,(H,24,28)(H,25,26)/t21-/m0/s1
InChIKeyFENPVOQLZCBPRG-NRFANRHFSA-N
XLogP3.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
CID 59159156
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159006
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232
5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
5-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
(2R)-3-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]propane-1,2-diol
CID 59159044
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 59159114

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide (CID 59159183) is N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is FENPVOQLZCBPRG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17(28)24-13-19-4-2-5-20(11-19)15-27-9-3-6-21(16-27)10-18-7-8-23-22(12-18)14-25-26-23/h2,4-5,7-8,11-12,14,21H,3,6,9-10,13,15-16H2,1H3,(H,24,28)(H,25,26)/t21-/m0/s1.
What are the key properties of N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 59159183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).