2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

C27H32N4O2 — CID 70587768

IUPAC2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESCOc1cccc(CC(CNc2ccccc2C(N)=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H32N4O2/c1-33-24-11-7-8-21(19-24)18-23(20-29-26-13-6-5-12-25(26)27(28)32)31-16-14-30(15-17-31)22-9-3-2-4-10-22/h2-13,19,23,29H,14-18,20H2,1H3,(H2,28,32)
InChIKeyWQQNZVXOEVDQHU-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.64
Rot. Bonds9

About 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (PubChem CID 70587768) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.

Molecular Properties

Compound Name2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
PubChem CID70587768
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESCOc1cccc(CC(CNc2ccccc2C(N)=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H32N4O2/c1-33-24-11-7-8-21(19-24)18-23(20-29-26-13-6-5-12-25(26)27(28)32)31-16-14-30(15-17-31)22-9-3-2-4-10-22/h2-13,19,23,29H,14-18,20H2,1H3,(H2,28,32)
InChIKeyWQQNZVXOEVDQHU-UHFFFAOYSA-N
XLogP3.64
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The IUPAC name of 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (CID 70587768) is 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.
What is the SMILES notation for 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The canonical SMILES for 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is COc1cccc(CC(CNc2ccccc2C(N)=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The InChIKey is WQQNZVXOEVDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-33-24-11-7-8-21(19-24)18-23(20-29-26-13-6-5-12-25(26)27(28)32)31-16-14-30(15-17-31)22-9-3-2-4-10-22/h2-13,19,23,29H,14-18,20H2,1H3,(H2,28,32).
What are the key properties of 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is sourced from PubChem (CID 70587768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).