2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

C18H22N4O — CID 23290943

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1
InChIInChI=1S/C18H22N4O/c1-15-6-2-3-7-16(15)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23)
InChIKeyAOXVSLPBNGGHDE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds4

About 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 23290943) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID23290943
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1
InChIInChI=1S/C18H22N4O/c1-15-6-2-3-7-16(15)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23)
InChIKeyAOXVSLPBNGGHDE-UHFFFAOYSA-N
XLogP2.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (CID 23290943) is 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is Cc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is AOXVSLPBNGGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15-6-2-3-7-16(15)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 310.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 23290943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).