N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

C22H32N4O3 — CID 24820102

IUPACN-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCCn1cc(CN2CCCC(CNC(=O)COc3ccccc3OC)C2)c(C)n1
InChIInChI=1S/C22H32N4O3/c1-4-26-15-19(17(2)24-26)14-25-11-7-8-18(13-25)12-23-22(27)16-29-21-10-6-5-9-20(21)28-3/h5-6,9-10,15,18H,4,7-8,11-14,16H2,1-3H3,(H,23,27)
InChIKeyPUDMUVNABBAMEZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.63
Rot. Bonds9

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

N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 24820102) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID24820102
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCCn1cc(CN2CCCC(CNC(=O)COc3ccccc3OC)C2)c(C)n1
InChIInChI=1S/C22H32N4O3/c1-4-26-15-19(17(2)24-26)14-25-11-7-8-18(13-25)12-23-22(27)16-29-21-10-6-5-9-20(21)28-3/h5-6,9-10,15,18H,4,7-8,11-14,16H2,1-3H3,(H,23,27)
InChIKeyPUDMUVNABBAMEZ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 24820102) is N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is CCn1cc(CN2CCCC(CNC(=O)COc3ccccc3OC)C2)c(C)n1.
What is the InChIKey of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is PUDMUVNABBAMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-26-15-19(17(2)24-26)14-25-11-7-8-18(13-25)12-23-22(27)16-29-21-10-6-5-9-20(21)28-3/h5-6,9-10,15,18H,4,7-8,11-14,16H2,1-3H3,(H,23,27).
What are the key properties of N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 24820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).