2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C19H24N4O2 — CID 46162299

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-18-6-4-17(5-7-18)23-11-9-22(10-12-23)15-19(24)21-14-16-3-2-8-20-13-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKeyINMNGDWVIHXNOI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 46162299) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID46162299
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-18-6-4-17(5-7-18)23-11-9-22(10-12-23)15-19(24)21-14-16-3-2-8-20-13-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,24)
InChIKeyINMNGDWVIHXNOI-UHFFFAOYSA-N
XLogP1.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 1446584
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 136524740
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963536
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 46162299) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(N2CCN(CC(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is INMNGDWVIHXNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-6-4-17(5-7-18)23-11-9-22(10-12-23)15-19(24)21-14-16-3-2-8-20-13-16/h2-8,13H,9-12,14-15H2,1H3,(H,21,24).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 46162299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).