2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide

C23H32N4O3 — CID 45249485

IUPAC2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
SMILESCOCC(=O)NCC(C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C23H32N4O3/c1-19(14-25-23(28)18-29-2)30-22-7-5-20(6-8-22)16-26-10-12-27(13-11-26)17-21-4-3-9-24-15-21/h3-9,15,19H,10-14,16-18H2,1-2H3,(H,25,28)
InChIKeyVQMCQDVBSKIZIO-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.93
Rot. Bonds10

About 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide

2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide (PubChem CID 45249485) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
PubChem CID45249485
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
SMILESCOCC(=O)NCC(C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C23H32N4O3/c1-19(14-25-23(28)18-29-2)30-22-7-5-20(6-8-22)16-26-10-12-27(13-11-26)17-21-4-3-9-24-15-21/h3-9,15,19H,10-14,16-18H2,1-2H3,(H,25,28)
InChIKeyVQMCQDVBSKIZIO-UHFFFAOYSA-N
XLogP1.93
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
CID 125173346
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
2-methoxy-N-[(2R)-2-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]acetamide
CID 42541715
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42407485
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 45173659
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
methyl 4-[[4-(2-phenoxypropyl)piperazin-1-yl]methyl]benzoate
CID 54506508

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide (CID 45249485) is 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide is COCC(=O)NCC(C)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide?
The InChIKey is VQMCQDVBSKIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-19(14-25-23(28)18-29-2)30-22-7-5-20(6-8-22)16-26-10-12-27(13-11-26)17-21-4-3-9-24-15-21/h3-9,15,19H,10-14,16-18H2,1-2H3,(H,25,28).
What are the key properties of 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide?
2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide is sourced from PubChem (CID 45249485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).