N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C20H31N3O2 — CID 78774150

IUPACN-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCCN1CCN(C(=O)C(CC(C)C)NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H31N3O2/c1-5-22-10-12-23(13-11-22)20(25)18(14-15(2)3)21-19(24)17-9-7-6-8-16(17)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyZMVZZJSJJLPPBT-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.30
Rot. Bonds6

About N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 78774150) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID78774150
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCCN1CCN(C(=O)C(CC(C)C)NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H31N3O2/c1-5-22-10-12-23(13-11-22)20(25)18(14-15(2)3)21-19(24)17-9-7-6-8-16(17)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyZMVZZJSJJLPPBT-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254579
N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
N-[1-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46570379
N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide
CID 42702868
2-methyl-N-[4-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide
CID 43054523
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 120807781
2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-2-yl]benzamide
CID 31939528
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
CID 120807780
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134055780

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 78774150) is N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is CCN1CCN(C(=O)C(CC(C)C)NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is ZMVZZJSJJLPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-5-22-10-12-23(13-11-22)20(25)18(14-15(2)3)21-19(24)17-9-7-6-8-16(17)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 78774150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).