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

C22H26N4O2 — CID 59159110

IUPAC2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C22H26N4O2/c23-22(27)15-28-20-5-1-3-18(11-20)14-26-8-2-4-17(13-26)9-16-6-7-21-19(10-16)12-24-25-21/h1,3,5-7,10-12,17H,2,4,8-9,13-15H2,(H2,23,27)(H,24,25)/t17-/m0/s1
InChIKeySKQQGYXUNKXKFY-KRWDZBQOSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds7

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

2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 59159110) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID59159110
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C22H26N4O2/c23-22(27)15-28-20-5-1-3-18(11-20)14-26-8-2-4-17(13-26)9-16-6-7-21-19(10-16)12-24-25-21/h1,3,5-7,10-12,17H,2,4,8-9,13-15H2,(H2,23,27)(H,24,25)/t17-/m0/s1
InChIKeySKQQGYXUNKXKFY-KRWDZBQOSA-N
XLogP2.88
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
CID 59159156
(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
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 59159183
5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159006
5-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159015
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
2-[5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 59159114
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
5-[[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159126
N-[4-[[3-(1H-indazol-5-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 59159232

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 59159110) is 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide is NC(=O)COc1cccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is SKQQGYXUNKXKFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-22(27)15-28-20-5-1-3-18(11-20)14-26-8-2-4-17(13-26)9-16-6-7-21-19(10-16)12-24-25-21/h1,3,5-7,10-12,17H,2,4,8-9,13-15H2,(H2,23,27)(H,24,25)/t17-/m0/s1.
What are the key properties of 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 59159110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).