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

C21H25N5O2 — CID 25010258

IUPAC2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H25N5O2/c22-21(27)14-28-19-5-1-3-15(9-19)12-26-8-2-4-18(13-26)24-17-6-7-20-16(10-17)11-23-25-20/h1,3,5-7,9-11,18,24H,2,4,8,12-14H2,(H2,22,27)(H,23,25)
InChIKeyYXVDBONDQPTXQM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.50
Rot. Bonds7

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

2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 25010258) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID25010258
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C21H25N5O2/c22-21(27)14-28-19-5-1-3-15(9-19)12-26-8-2-4-18(13-26)24-17-6-7-20-16(10-17)11-23-25-20/h1,3,5-7,9-11,18,24H,2,4,8,12-14H2,(H2,22,27)(H,23,25)
InChIKeyYXVDBONDQPTXQM-UHFFFAOYSA-N
XLogP2.50
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide (CID 25010258) is 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide is NC(=O)COc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is YXVDBONDQPTXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-21(27)14-28-19-5-1-3-15(9-19)12-26-8-2-4-18(13-26)24-17-6-7-20-16(10-17)11-23-25-20/h1,3,5-7,9-11,18,24H,2,4,8,12-14H2,(H2,22,27)(H,23,25).
What are the key properties of 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 25010258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).