N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide

C20H24N4O3 — CID 18918579

IUPACN-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N4O3/c1-21-20(26)15-27-18-4-2-16(3-5-18)19(25)14-23-10-12-24(13-11-23)17-6-8-22-9-7-17/h2-9H,10-15H2,1H3,(H,21,26)
InChIKeyHYVVELSBDQGGBW-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.21
Rot. Bonds7

About N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide

N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide (PubChem CID 18918579) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide
PubChem CID18918579
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N4O3/c1-21-20(26)15-27-18-4-2-16(3-5-18)19(25)14-23-10-12-24(13-11-23)17-6-8-22-9-7-17/h2-9H,10-15H2,1H3,(H,21,26)
InChIKeyHYVVELSBDQGGBW-UHFFFAOYSA-N
XLogP1.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(carboxymethoxy)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18924090
methyl 2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate
CID 18918268
2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]acetic acid
CID 18918340
2-[2-methyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18918578
2-[2-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetic acid
CID 18918247
2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]ethanethioic S-acid
CID 18918526
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
ethyl 2-[3-methoxy-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetate
CID 18918412
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
[2-tert-butyl-4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl] acetate
CID 19030688
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide (CID 18918579) is N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide is CNC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide?
The InChIKey is HYVVELSBDQGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-21-20(26)15-27-18-4-2-16(3-5-18)19(25)14-23-10-12-24(13-11-23)17-6-8-22-9-7-17/h2-9H,10-15H2,1H3,(H,21,26).
What are the key properties of N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide?
N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenoxy]acetamide is sourced from PubChem (CID 18918579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).