(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone

C20H25N3O3S — CID 134025112

IUPAC(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESCc1ccc2nc3c(c(C(=O)N4CCN(S(C)(=O)=O)CC4)c2c1)CCCC3
InChIInChI=1S/C20H25N3O3S/c1-14-7-8-18-16(13-14)19(15-5-3-4-6-17(15)21-18)20(24)22-9-11-23(12-10-22)27(2,25)26/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyGZWFDMPTCKLOHE-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.14
Rot. Bonds2

About (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone

(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone (PubChem CID 134025112) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
PubChem CID134025112
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESCc1ccc2nc3c(c(C(=O)N4CCN(S(C)(=O)=O)CC4)c2c1)CCCC3
InChIInChI=1S/C20H25N3O3S/c1-14-7-8-18-16(13-14)19(15-5-3-4-6-17(15)21-18)20(24)22-9-11-23(12-10-22)27(2,25)26/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyGZWFDMPTCKLOHE-UHFFFAOYSA-N
XLogP2.14
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone with MolForge

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Related Compounds

7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
propan-2-yl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600366
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 27019983
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
(2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4843684
7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
7-methyl-N-[2-(2-oxopiperidin-1-yl)propyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 166221804
(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 70740250
7-propan-2-yl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 82450560
(4-tert-butyl-2,6-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804515

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone (CID 134025112) is (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone is Cc1ccc2nc3c(c(C(=O)N4CCN(S(C)(=O)=O)CC4)c2c1)CCCC3.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone?
The InChIKey is GZWFDMPTCKLOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-7-8-18-16(13-14)19(15-5-3-4-6-17(15)21-18)20(24)22-9-11-23(12-10-22)27(2,25)26/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone has a molecular weight of 387.51 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone is sourced from PubChem (CID 134025112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).