(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one

C18H27N3O4S — CID 92626691

IUPAC(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C1=O
InChIInChI=1S/C18H27N3O4S/c1-14-8-10-19(11-9-14)26(23,24)21-13-12-20(18(22)15(21)2)16-6-4-5-7-17(16)25-3/h4-7,14-15H,8-13H2,1-3H3/t15-/m1/s1
InChIKeyCQTBEZLKTNRILM-OAHLLOKOSA-N
MW381.50 g/mol
LogP1.71
Rot. Bonds4

About (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one

(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one (PubChem CID 92626691) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one
PubChem CID92626691
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C1=O
InChIInChI=1S/C18H27N3O4S/c1-14-8-10-19(11-9-14)26(23,24)21-13-12-20(18(22)15(21)2)16-6-4-5-7-17(16)25-3/h4-7,14-15H,8-13H2,1-3H3/t15-/m1/s1
InChIKeyCQTBEZLKTNRILM-OAHLLOKOSA-N
XLogP1.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 42847493
4-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24719502
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24716235
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
CID 146074768
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
1-(2-methoxyphenyl)-4-(4-methoxypiperidin-1-yl)sulfonyl-1,4-diazepane
CID 138051544
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpiperidine-1-sulfonamide
CID 39978067
1-(2-methoxyphenyl)-3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 46980979
(2R)-1-[(3S)-1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxylic acid
CID 129466790
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one?
The IUPAC name of (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one (CID 92626691) is (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one?
The canonical SMILES for (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one is COc1ccccc1N1CCN(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C1=O.
What is the InChIKey of (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one?
The InChIKey is CQTBEZLKTNRILM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-8-10-19(11-9-14)26(23,24)21-13-12-20(18(22)15(21)2)16-6-4-5-7-17(16)25-3/h4-7,14-15H,8-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one?
(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one has a molecular weight of 381.50 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one is sourced from PubChem (CID 92626691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).