2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide

C25H31N5O — CID 165115886

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C25H31N5O/c1-18-8-9-23(30-12-10-28(3)11-13-30)15-24(18)25(31)27-19(2)20-6-5-7-21(14-20)22-16-26-29(4)17-22/h5-9,14-17,19H,10-13H2,1-4H3,(H,27,31)/t19-/m1/s1
InChIKeyJAZVWPFOVWGPJI-LJQANCHMSA-N
MW417.56 g/mol
LogP3.64
Rot. Bonds5

About 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide

2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 165115886) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
PubChem CID165115886
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C25H31N5O/c1-18-8-9-23(30-12-10-28(3)11-13-30)15-24(18)25(31)27-19(2)20-6-5-7-21(14-20)22-16-26-29(4)17-22/h5-9,14-17,19H,10-13H2,1-4H3,(H,27,31)/t19-/m1/s1
InChIKeyJAZVWPFOVWGPJI-LJQANCHMSA-N
XLogP3.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide (CID 165115886) is 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is JAZVWPFOVWGPJI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O/c1-18-8-9-23(30-12-10-28(3)11-13-30)15-24(18)25(31)27-19(2)20-6-5-7-21(14-20)22-16-26-29(4)17-22/h5-9,14-17,19H,10-13H2,1-4H3,(H,27,31)/t19-/m1/s1.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide?
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 417.56 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 165115886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).