(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

C24H26N4O3 — CID 26325845

IUPAC(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)c3cccc(-n4nc(C)cc4C)c3)C[C@@H]2C)c1
InChIInChI=1S/C24H26N4O3/c1-16-11-17(2)28(25-16)21-9-5-7-19(12-21)24(30)26-14-18(3)27(23(29)15-26)20-8-6-10-22(13-20)31-4/h5-13,18H,14-15H2,1-4H3/t18-/m0/s1
InChIKeyHPFHSBOHDSYOMJ-SFHVURJKSA-N
MW418.50 g/mol
LogP3.38
Rot. Bonds4

About (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one

(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (PubChem CID 26325845) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
PubChem CID26325845
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
SMILESCOc1cccc(N2C(=O)CN(C(=O)c3cccc(-n4nc(C)cc4C)c3)C[C@@H]2C)c1
InChIInChI=1S/C24H26N4O3/c1-16-11-17(2)28(25-16)21-9-5-7-19(12-21)24(30)26-14-18(3)27(23(29)15-26)20-8-6-10-22(13-20)31-4/h5-13,18H,14-15H2,1-4H3/t18-/m0/s1
InChIKeyHPFHSBOHDSYOMJ-SFHVURJKSA-N
XLogP3.38
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-4-(2,3-dimethyl-1H-indole-5-carbonyl)-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 125173408
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
(6S)-1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 42371325
1-(3-methoxyphenyl)-6-methyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 45199411
methyl 5-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-5-oxopentanoate
CID 26401829
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134701487
3-[2-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxopiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 42425075
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
CID 162638355
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122339233
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 42429759

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The IUPAC name of (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one (CID 26325845) is (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one.
What is the SMILES notation for (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The canonical SMILES for (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is COc1cccc(N2C(=O)CN(C(=O)c3cccc(-n4nc(C)cc4C)c3)C[C@@H]2C)c1.
What is the InChIKey of (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
The InChIKey is HPFHSBOHDSYOMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-11-17(2)28(25-16)21-9-5-7-19(12-21)24(30)26-14-18(3)27(23(29)15-26)20-8-6-10-22(13-20)31-4/h5-13,18H,14-15H2,1-4H3/t18-/m0/s1.
What are the key properties of (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one?
(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one is sourced from PubChem (CID 26325845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).