N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H22N4O — CID 4797946

IUPACN-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-15-5-4-6-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-7-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
InChIKeyAJADIMFRRRXJAI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds4

About N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4797946) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4797946
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-15-5-4-6-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-7-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
InChIKeyAJADIMFRRRXJAI-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4797946) is N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is AJADIMFRRRXJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15-5-4-6-16(13-15)20-18(23)14-21-9-11-22(12-10-21)17-7-2-3-8-19-17/h2-8,13H,9-12,14H2,1H3,(H,20,23).
What are the key properties of N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide 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 N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4797946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).