1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone

C21H26N4O — CID 67368844

IUPAC1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CNC2CC2c2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C21H26N4O/c1-24-9-11-25(12-10-24)21(26)15-23-20-13-19(20)17-6-4-16(5-7-17)18-3-2-8-22-14-18/h2-8,14,19-20,23H,9-13,15H2,1H3
InChIKeyAJPZFGUJBLWPFR-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.97
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone

1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone (PubChem CID 67368844) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone
PubChem CID67368844
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone
SMILESCN1CCN(C(=O)CNC2CC2c2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C21H26N4O/c1-24-9-11-25(12-10-24)21(26)15-23-20-13-19(20)17-6-4-16(5-7-17)18-3-2-8-22-14-18/h2-8,14,19-20,23H,9-13,15H2,1H3
InChIKeyAJPZFGUJBLWPFR-UHFFFAOYSA-N
XLogP1.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone (CID 67368844) is 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone is CN1CCN(C(=O)CNC2CC2c2ccc(-c3cccnc3)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone?
The InChIKey is AJPZFGUJBLWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-9-11-25(12-10-24)21(26)15-23-20-13-19(20)17-6-4-16(5-7-17)18-3-2-8-22-14-18/h2-8,14,19-20,23H,9-13,15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone has a molecular weight of 350.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[[2-(4-pyridin-3-ylphenyl)cyclopropyl]amino]ethanone is sourced from PubChem (CID 67368844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).