N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide

C24H30N4O2 — CID 59159156

IUPACN-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C24H30N4O2/c1-18(29)25-9-11-30-23-6-2-4-21(14-23)17-28-10-3-5-20(16-28)12-19-7-8-24-22(13-19)15-26-27-24/h2,4,6-8,13-15,20H,3,5,9-12,16-17H2,1H3,(H,25,29)(H,26,27)
InChIKeySYHPIDBQMFMQEL-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.53
Rot. Bonds8

About N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide

N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide (PubChem CID 59159156) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
PubChem CID59159156
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C24H30N4O2/c1-18(29)25-9-11-30-23-6-2-4-21(14-23)17-28-10-3-5-20(16-28)12-19-7-8-24-22(13-19)15-26-27-24/h2,4,6-8,13-15,20H,3,5,9-12,16-17H2,1H3,(H,25,29)(H,26,27)
InChIKeySYHPIDBQMFMQEL-UHFFFAOYSA-N
XLogP3.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 59159183
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 59159110
(2R)-3-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]propane-1,2-diol
CID 59159044
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 158919158
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 59159114
[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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide (CID 59159156) is N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide is CC(=O)NCCOc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
The InChIKey is SYHPIDBQMFMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(29)25-9-11-30-23-6-2-4-21(14-23)17-28-10-3-5-20(16-28)12-19-7-8-24-22(13-19)15-26-27-24/h2,4,6-8,13-15,20H,3,5,9-12,16-17H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 59159156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).