(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one

C19H22N4O3 — CID 96571041

IUPAC(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1cccc(N2C[C@H](C)N(C(=O)c3cnc(C)nc3C)CC2=O)c1
InChIInChI=1S/C19H22N4O3/c1-12-10-23(15-6-5-7-16(8-15)26-4)18(24)11-22(12)19(25)17-9-20-14(3)21-13(17)2/h5-9,12H,10-11H2,1-4H3/t12-/m0/s1
InChIKeyFXMDCCQIYHMXEK-LBPRGKRZSA-N
MW354.41 g/mol
LogP1.98
Rot. Bonds3

About (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one

(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one (PubChem CID 96571041) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
PubChem CID96571041
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1cccc(N2C[C@H](C)N(C(=O)c3cnc(C)nc3C)CC2=O)c1
InChIInChI=1S/C19H22N4O3/c1-12-10-23(15-6-5-7-16(8-15)26-4)18(24)11-22(12)19(25)17-9-20-14(3)21-13(17)2/h5-9,12H,10-11H2,1-4H3/t12-/m0/s1
InChIKeyFXMDCCQIYHMXEK-LBPRGKRZSA-N
XLogP1.98
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
CID 70777651
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 70740198
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
(5S)-4-(2-hydroxy-3-methoxybenzoyl)-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96579782
1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
CID 70719490
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
(5S)-5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
CID 96577698

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The IUPAC name of (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one (CID 96571041) is (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one is COc1cccc(N2C[C@H](C)N(C(=O)c3cnc(C)nc3C)CC2=O)c1.
What is the InChIKey of (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The InChIKey is FXMDCCQIYHMXEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-10-23(15-6-5-7-16(8-15)26-4)18(24)11-22(12)19(25)17-9-20-14(3)21-13(17)2/h5-9,12H,10-11H2,1-4H3/t12-/m0/s1.
What are the key properties of (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 96571041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).