(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

C19H21N3O3 — CID 96582112

IUPAC(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)ccn1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-16(7-5-13)22-11-14(2)21(12-18(22)23)19(24)15-8-9-20-17(10-15)25-3/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyVZLCVTKWYSZIOX-AWEZNQCLSA-N
MW339.40 g/mol
LogP2.28
Rot. Bonds3

About (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96582112) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID96582112
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)ccn1
InChIInChI=1S/C19H21N3O3/c1-13-4-6-16(7-5-13)22-11-14(2)21(12-18(22)23)19(24)15-8-9-20-17(10-15)25-3/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1
InChIKeyVZLCVTKWYSZIOX-AWEZNQCLSA-N
XLogP2.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
(5S)-4-(1,3-benzodioxole-5-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96574586
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(2-methoxy-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331808
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215
1-(4-chlorophenyl)-5-methyl-4-(quinoline-3-carbonyl)piperazin-2-one
CID 70729577
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 96582112) is (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is COc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)ccn1.
What is the InChIKey of (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is VZLCVTKWYSZIOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-4-6-16(7-5-13)22-11-14(2)21(12-18(22)23)19(24)15-8-9-20-17(10-15)25-3/h4-10,14H,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96582112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).