2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide

C16H24N4O4 — CID 71876650

IUPAC2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCOCC(=O)NCc1cccnc1N1CCN(C(=O)COC)CC1
InChIInChI=1S/C16H24N4O4/c1-23-11-14(21)18-10-13-4-3-5-17-16(13)20-8-6-19(7-9-20)15(22)12-24-2/h3-5H,6-12H2,1-2H3,(H,18,21)
InChIKeyMEKGUYSMIIIXSG-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.36
Rot. Bonds7

About 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide

2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 71876650) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
PubChem CID71876650
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCOCC(=O)NCc1cccnc1N1CCN(C(=O)COC)CC1
InChIInChI=1S/C16H24N4O4/c1-23-11-14(21)18-10-13-4-3-5-17-16(13)20-8-6-19(7-9-20)15(22)12-24-2/h3-5H,6-12H2,1-2H3,(H,18,21)
InChIKeyMEKGUYSMIIIXSG-UHFFFAOYSA-N
XLogP-0.36
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
2-amino-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 56745164
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methylthiophene-2-carboxamide
CID 25453222
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrazol-1-ylbutanamide
CID 56752725
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide (CID 71876650) is 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide is COCC(=O)NCc1cccnc1N1CCN(C(=O)COC)CC1.
What is the InChIKey of 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is MEKGUYSMIIIXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-23-11-14(21)18-10-13-4-3-5-17-16(13)20-8-6-19(7-9-20)15(22)12-24-2/h3-5H,6-12H2,1-2H3,(H,18,21).
What are the key properties of 2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide?
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of -0.36, 7 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-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 71876650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).