(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone

C17H25N3O4S — CID 46763499

IUPAC(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-18-6-8-19(9-7-18)17(21)16-4-2-15(3-5-16)14-25(22,23)20-10-12-24-13-11-20/h2-5H,6-14H2,1H3
InChIKeyOELZXTIIKHVMCF-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.24
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone

(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone (PubChem CID 46763499) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
PubChem CID46763499
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-18-6-8-19(9-7-18)17(21)16-4-2-15(3-5-16)14-25(22,23)20-10-12-24-13-11-20/h2-5H,6-14H2,1H3
InChIKeyOELZXTIIKHVMCF-UHFFFAOYSA-N
XLogP0.24
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992
ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate
CID 92671777
(4-ethylpiperazin-1-yl)-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanone
CID 28637058
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100523110
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110805309
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
(3,4-dimethylphenyl)-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365094
N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 92646503
(4-methylpiperazin-1-yl)-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43924483
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone (CID 46763499) is (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone is CN1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is OELZXTIIKHVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-18-6-8-19(9-7-18)17(21)16-4-2-15(3-5-16)14-25(22,23)20-10-12-24-13-11-20/h2-5H,6-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 367.47 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 46763499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).