N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide

C20H26N4O — CID 3050158

IUPACN-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccccc1NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c1-21-20(25)18-9-5-6-10-19(18)22-11-12-23-13-15-24(16-14-23)17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,21,25)
InChIKeyCINTUVGQDQWWIP-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.28
Rot. Bonds6

About N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide

N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide (PubChem CID 3050158) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
PubChem CID3050158
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccccc1NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c1-21-20(25)18-9-5-6-10-19(18)22-11-12-23-13-15-24(16-14-23)17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,21,25)
InChIKeyCINTUVGQDQWWIP-UHFFFAOYSA-N
XLogP2.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The IUPAC name of N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide (CID 3050158) is N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide.
What is the SMILES notation for N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The canonical SMILES for N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide is CNC(=O)c1ccccc1NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The InChIKey is CINTUVGQDQWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-21-20(25)18-9-5-6-10-19(18)22-11-12-23-13-15-24(16-14-23)17-7-3-2-4-8-17/h2-10,22H,11-16H2,1H3,(H,21,25).
What are the key properties of N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide has a molecular weight of 338.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide is sourced from PubChem (CID 3050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).