[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

C23H29N3O4S — CID 89185926

IUPAC[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESNc1ccc(S(=O)(=O)N2CCC(C(=O)c3cccc(CN4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c24-21-4-6-22(7-5-21)31(28,29)26-10-8-19(9-11-26)23(27)20-3-1-2-18(16-20)17-25-12-14-30-15-13-25/h1-7,16,19H,8-15,17,24H2
InChIKeyXEGVQQWUKJLCTM-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.38
Rot. Bonds6

About [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 89185926) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID89185926
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESNc1ccc(S(=O)(=O)N2CCC(C(=O)c3cccc(CN4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c24-21-4-6-22(7-5-21)31(28,29)26-10-8-19(9-11-26)23(27)20-3-1-2-18(16-20)17-25-12-14-30-15-13-25/h1-7,16,19H,8-15,17,24H2
InChIKeyXEGVQQWUKJLCTM-UHFFFAOYSA-N
XLogP2.38
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336
1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27890193
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961
3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55634478
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
3-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028806
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
cyclohexyl-[3-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725004
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 89185926) is [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is Nc1ccc(S(=O)(=O)N2CCC(C(=O)c3cccc(CN4CCOCC4)c3)CC2)cc1.
What is the InChIKey of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is XEGVQQWUKJLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c24-21-4-6-22(7-5-21)31(28,29)26-10-8-19(9-11-26)23(27)20-3-1-2-18(16-20)17-25-12-14-30-15-13-25/h1-7,16,19H,8-15,17,24H2.
What are the key properties of [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone?
[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 443.57 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 89185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).