N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C21H28N4O — CID 4262733

IUPACN-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-2-3-6-18-8-10-19(11-9-18)23-21(26)17-24-13-15-25(16-14-24)20-7-4-5-12-22-20/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,23,26)
InChIKeyJEVRSCTVYCNOIU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.18
Rot. Bonds7

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

N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4262733) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4262733
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H28N4O/c1-2-3-6-18-8-10-19(11-9-18)23-21(26)17-24-13-15-25(16-14-24)20-7-4-5-12-22-20/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,23,26)
InChIKeyJEVRSCTVYCNOIU-UHFFFAOYSA-N
XLogP3.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4262733) is N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CCCCc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is JEVRSCTVYCNOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-3-6-18-8-10-19(11-9-18)23-21(26)17-24-13-15-25(16-14-24)20-7-4-5-12-22-20/h4-5,7-12H,2-3,6,13-17H2,1H3,(H,23,26).
What are the key properties of N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4262733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).