[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

C21H27N3O4S — CID 16611964

IUPAC[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)n3cccc/c3=N\C(C)C)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-16(2)22-20-6-4-5-13-24(20)21(25)17-11-14-23(15-12-17)29(26,27)19-9-7-18(28-3)8-10-19/h4-10,13,16-17H,11-12,14-15H2,1-3H3/b22-20+
InChIKeyILODCUMGKIPDCQ-LSDHQDQOSA-N
MW417.53 g/mol
LogP2.55
Rot. Bonds5

About [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 16611964) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID16611964
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)n3cccc/c3=N\C(C)C)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-16(2)22-20-6-4-5-13-24(20)21(25)17-11-14-23(15-12-17)29(26,27)19-9-7-18(28-3)8-10-19/h4-10,13,16-17H,11-12,14-15H2,1-3H3/b22-20+
InChIKeyILODCUMGKIPDCQ-LSDHQDQOSA-N
XLogP2.55
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone with MolForge

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Related Compounds

[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 16609667
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035839
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409417
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657504
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 16611964) is [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)n3cccc/c3=N\C(C)C)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is ILODCUMGKIPDCQ-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16(2)22-20-6-4-5-13-24(20)21(25)17-11-14-23(15-12-17)29(26,27)19-9-7-18(28-3)8-10-19/h4-10,13,16-17H,11-12,14-15H2,1-3H3/b22-20+.
What are the key properties of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone?
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 417.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 16611964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).