(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

C19H24N4O3 — CID 97154681

IUPAC(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCCc1nccn1CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C
InChIInChI=1S/C19H24N4O3/c1-4-17-20-9-10-21(17)13-18(24)22-11-12-23(19(25)14(22)2)15-5-7-16(26-3)8-6-15/h5-10,14H,4,11-13H2,1-3H3/t14-/m0/s1
InChIKeyJPSUVEGMHSDDPT-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.72
Rot. Bonds5

About (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 97154681) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID97154681
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCCc1nccn1CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C
InChIInChI=1S/C19H24N4O3/c1-4-17-20-9-10-21(17)13-18(24)22-11-12-23(19(25)14(22)2)15-5-7-16(26-3)8-6-15/h5-10,14H,4,11-13H2,1-3H3/t14-/m0/s1
InChIKeyJPSUVEGMHSDDPT-AWEZNQCLSA-N
XLogP1.72
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[2-(2-methoxyethoxy)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97133156
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
CID 70744346
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
1-(4-ethoxyphenyl)-3-methyl-4-(2-phenylacetyl)piperazin-2-one
CID 46036035
3-(2-ethylimidazol-1-yl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109410
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(2S)-4-(4-methoxyphenyl)-2-methyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126430620
1-(4-methoxyphenyl)-3-methyl-4-[(2S)-pyrrolidine-2-carbonyl]piperazin-2-one
CID 141490582
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (CID 97154681) is (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is CCc1nccn1CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C.
What is the InChIKey of (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is JPSUVEGMHSDDPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-17-20-9-10-21(17)13-18(24)22-11-12-23(19(25)14(22)2)15-5-7-16(26-3)8-6-15/h5-10,14H,4,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
(3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(2-ethylimidazol-1-yl)acetyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 97154681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).