N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide

C28H40N4O2 — CID 10528125

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCCN1CCCC1CNC(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C28H40N4O2/c1-4-31-14-8-11-25(31)20-29-28(33)24-10-7-9-23(19-24)21-30-15-17-32(18-16-30)26-12-5-6-13-27(26)34-22(2)3/h5-7,9-10,12-13,19,22,25H,4,8,11,14-18,20-21H2,1-3H3,(H,29,33)
InChIKeyGSFRIQFLKZOXIJ-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.01
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 10528125) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID10528125
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide
SMILESCCN1CCCC1CNC(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1
InChIInChI=1S/C28H40N4O2/c1-4-31-14-8-11-25(31)20-29-28(33)24-10-7-9-23(19-24)21-30-15-17-32(18-16-30)26-12-5-6-13-27(26)34-22(2)3/h5-7,9-10,12-13,19,22,25H,4,8,11,14-18,20-21H2,1-3H3,(H,29,33)
InChIKeyGSFRIQFLKZOXIJ-UHFFFAOYSA-N
XLogP4.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide 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-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide (CID 10528125) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide is CCN1CCCC1CNC(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is GSFRIQFLKZOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-4-31-14-8-11-25(31)20-29-28(33)24-10-7-9-23(19-24)21-30-15-17-32(18-16-30)26-12-5-6-13-27(26)34-22(2)3/h5-7,9-10,12-13,19,22,25H,4,8,11,14-18,20-21H2,1-3H3,(H,29,33).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 464.65 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 10528125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).