(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one

C21H26N2O3 — CID 93292204

IUPAC(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cc(C)ccc3OC)C(=O)[C@H]2C)cc1
InChIInChI=1S/C21H26N2O3/c1-15-5-10-20(26-4)19(13-15)23-12-11-22(16(2)21(23)24)14-17-6-8-18(25-3)9-7-17/h5-10,13,16H,11-12,14H2,1-4H3/t16-/m1/s1
InChIKeyLOONQOBPRZHWJQ-MRXNPFEDSA-N
MW354.45 g/mol
LogP3.25
Rot. Bonds5

About (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one

(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one (PubChem CID 93292204) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
PubChem CID93292204
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cc(C)ccc3OC)C(=O)[C@H]2C)cc1
InChIInChI=1S/C21H26N2O3/c1-15-5-10-20(26-4)19(13-15)23-12-11-22(16(2)21(23)24)14-17-6-8-18(25-3)9-7-17/h5-10,13,16H,11-12,14H2,1-4H3/t16-/m1/s1
InChIKeyLOONQOBPRZHWJQ-MRXNPFEDSA-N
XLogP3.25
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
(3S)-1-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321187
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
(3R)-4-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322431
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035768
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 56900389
4-(furan-2-carbonyl)-1-(2-methoxy-5-methylphenyl)-3-methylpiperazin-2-one
CID 24716365
(1S,4S)-5-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 42236740
(3S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 95729785
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one (CID 93292204) is (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one is COc1ccc(CN2CCN(c3cc(C)ccc3OC)C(=O)[C@H]2C)cc1.
What is the InChIKey of (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is LOONQOBPRZHWJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-10-20(26-4)19(13-15)23-12-11-22(16(2)21(23)24)14-17-6-8-18(25-3)9-7-17/h5-10,13,16H,11-12,14H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one?
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 93292204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).