3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C20H30N4O3 — CID 50779586

IUPAC3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1
InChIInChI=1S/C20H30N4O3/c1-15(2)14-24(10-7-19(26)23-11-8-21-9-12-23)20(27)17-5-4-6-18(13-17)22-16(3)25/h4-6,13,15,21H,7-12,14H2,1-3H3,(H,22,25)
InChIKeyAJKLUDMOIDYXNN-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.57
Rot. Bonds7

About 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779586) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779586
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1
InChIInChI=1S/C20H30N4O3/c1-15(2)14-24(10-7-19(26)23-11-8-21-9-12-23)20(27)17-5-4-6-18(13-17)22-16(3)25/h4-6,13,15,21H,7-12,14H2,1-3H3,(H,22,25)
InChIKeyAJKLUDMOIDYXNN-UHFFFAOYSA-N
XLogP1.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[2-(diethylamino)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779385
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 46323117
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779618
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 93057910
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779658
3-bromo-N-[(3-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779708

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779586) is 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC(C)C)c1.
What is the InChIKey of 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is AJKLUDMOIDYXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15(2)14-24(10-7-19(26)23-11-8-21-9-12-23)20(27)17-5-4-6-18(13-17)22-16(3)25/h4-6,13,15,21H,7-12,14H2,1-3H3,(H,22,25).
What are the key properties of 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).