2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide

C22H32N4O3 — CID 24793254

IUPAC2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCCN(Cc2cnn(C(C)C)c2)C1
InChIInChI=1S/C22H32N4O3/c1-17(2)26-15-19(12-24-26)14-25-10-6-7-18(13-25)11-23-22(27)16-29-21-9-5-4-8-20(21)28-3/h4-5,8-9,12,15,17-18H,6-7,10-11,13-14,16H2,1-3H3,(H,23,27)
InChIKeyKGSIPHUYPVTXOT-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.88
Rot. Bonds9

About 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide

2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide (PubChem CID 24793254) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
PubChem CID24793254
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCCN(Cc2cnn(C(C)C)c2)C1
InChIInChI=1S/C22H32N4O3/c1-17(2)26-15-19(12-24-26)14-25-10-6-7-18(13-25)11-23-22(27)16-29-21-9-5-4-8-20(21)28-3/h4-5,8-9,12,15,17-18H,6-7,10-11,13-14,16H2,1-3H3,(H,23,27)
InChIKeyKGSIPHUYPVTXOT-UHFFFAOYSA-N
XLogP2.88
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 24791783
N-({1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-2-(2-methoxyphenoxy)acetamide
CID 24820102
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46698354
1-[3-(2-methoxyphenoxy)propyl]-4-(1-methyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 50979686
2-[4-[2-Oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 53551178
4-[2-Oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 53553315
2-[3-[[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 53562916
2-[4-[[1-(4-Methylpyrazol-1-yl)propan-2-ylamino]methyl]phenoxy]acetamide
CID 53568741
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(2-phenoxyethyl)acetamide
CID 53603947
1-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 53613899
2-(2-Fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 71917967
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 72141426

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide (CID 24793254) is 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide is COc1ccccc1OCC(=O)NCC1CCCN(Cc2cnn(C(C)C)c2)C1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is KGSIPHUYPVTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17(2)26-15-19(12-24-26)14-25-10-6-7-18(13-25)11-23-22(27)16-29-21-9-5-4-8-20(21)28-3/h4-5,8-9,12,15,17-18H,6-7,10-11,13-14,16H2,1-3H3,(H,23,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide?
2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 24793254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).