3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide

C19H25N3O3 — CID 124961666

IUPAC3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C2CCC2)c1
InChIInChI=1S/C19H25N3O3/c1-13(23)21-9-10-22(19(25)14-5-3-6-14)17(12-21)15-7-4-8-16(11-15)18(24)20-2/h4,7-8,11,14,17H,3,5-6,9-10,12H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyHDDPSAVVTNWRRR-KRWDZBQOSA-N
MW343.43 g/mol
LogP1.58
Rot. Bonds3

About 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide (PubChem CID 124961666) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
PubChem CID124961666
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C2CCC2)c1
InChIInChI=1S/C19H25N3O3/c1-13(23)21-9-10-22(19(25)14-5-3-6-14)17(12-21)15-7-4-8-16(11-15)18(24)20-2/h4,7-8,11,14,17H,3,5-6,9-10,12H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyHDDPSAVVTNWRRR-KRWDZBQOSA-N
XLogP1.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
CID 129454780
3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
CID 124974170
3-[(2R)-4-acetyl-1-(1H-imidazol-5-ylmethyl)piperazin-2-yl]-N-methylbenzamide
CID 124976849
3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 125010756
3-[4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 110151897
3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458672
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
3-[(2R)-1-acetyl-4-[4-(3-methylphenyl)oxane-4-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458626
3-[1-acetyl-4-(4-benzyloxane-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 110151965
tert-butyl 3-[3-(methylcarbamoyl)phenyl]-4-(4-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 110090530
tert-butyl (3R)-3-[3-(methylcarbamoyl)phenyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxylate
CID 124989383
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide (CID 124961666) is 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2C(=O)C2CCC2)c1.
What is the InChIKey of 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide?
The InChIKey is HDDPSAVVTNWRRR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)21-9-10-22(19(25)14-5-3-6-14)17(12-21)15-7-4-8-16(11-15)18(24)20-2/h4,7-8,11,14,17H,3,5-6,9-10,12H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide has a molecular weight of 343.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 124961666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).