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

C20H26N4O2 — CID 166605762

IUPAC2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C20H26N4O2/c1-16-4-3-5-18(12-16)22-19(25)15-24-10-8-23(9-11-24)14-17-6-7-21-20(13-17)26-2/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,25)
InChIKeyDXMXTVJGECSPOE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.15
Rot. Bonds6

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

2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 166605762) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID166605762
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C20H26N4O2/c1-16-4-3-5-18(12-16)22-19(25)15-24-10-8-23(9-11-24)14-17-6-7-21-20(13-17)26-2/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,25)
InChIKeyDXMXTVJGECSPOE-UHFFFAOYSA-N
XLogP2.15
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 8721089
N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602168
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide (CID 166605762) is 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide is COc1cc(CN2CCN(CC(=O)Nc3cccc(C)c3)CC2)ccn1.
What is the InChIKey of 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is DXMXTVJGECSPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-4-3-5-18(12-16)22-19(25)15-24-10-8-23(9-11-24)14-17-6-7-21-20(13-17)26-2/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 166605762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).