N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C24H33N5O3 — CID 10478367

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
InChIKeyFBDANPRMCCLYRK-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.81
Rot. Bonds5

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 10478367) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID10478367
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)
InChIKeyFBDANPRMCCLYRK-UHFFFAOYSA-N
XLogP2.81
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 10478367) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is FBDANPRMCCLYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10478367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).