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

C23H29N5O2 — CID 25010427

IUPACN-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C23H29N5O2/c1-17(29)24-9-11-30-22-6-2-4-18(12-22)15-28-10-3-5-21(16-28)26-20-7-8-23-19(13-20)14-25-27-23/h2,4,6-8,12-14,21,26H,3,5,9-11,15-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyHUVLXAMZMWMEAO-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.15
Rot. Bonds8

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

N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide (PubChem CID 25010427) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
PubChem CID25010427
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C23H29N5O2/c1-17(29)24-9-11-30-22-6-2-4-18(12-22)15-28-10-3-5-21(16-28)26-20-7-8-23-19(13-20)14-25-27-23/h2,4,6-8,12-14,21,26H,3,5,9-11,15-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyHUVLXAMZMWMEAO-UHFFFAOYSA-N
XLogP3.15
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide (CID 25010427) is N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide is CC(=O)NCCOc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
The InChIKey is HUVLXAMZMWMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17(29)24-9-11-30-22-6-2-4-18(12-22)15-28-10-3-5-21(16-28)26-20-7-8-23-19(13-20)14-25-27-23/h2,4,6-8,12-14,21,26H,3,5,9-11,15-16H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide?
N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 25010427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).