(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone

C17H19N3O4S — CID 55519855

IUPAC(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C17H19N3O4S/c1-25(22,23)20-12-10-19(11-13-20)17(21)15-8-5-9-18-16(15)24-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyANLDECZXIWZZDQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.59
Rot. Bonds4

About (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone

(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone (PubChem CID 55519855) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
PubChem CID55519855
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C17H19N3O4S/c1-25(22,23)20-12-10-19(11-13-20)17(21)15-8-5-9-18-16(15)24-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyANLDECZXIWZZDQ-UHFFFAOYSA-N
XLogP1.59
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 6976014
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone (CID 55519855) is (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The InChIKey is ANLDECZXIWZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-25(22,23)20-12-10-19(11-13-20)17(21)15-8-5-9-18-16(15)24-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone has a molecular weight of 361.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 55519855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).