(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone

C19H28N2O5S — CID 51197836

IUPAC(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H28N2O5S/c1-14-10-15(2)13-20(12-14)19(22)17-11-16(4-5-18(17)25-3)27(23,24)21-6-8-26-9-7-21/h4-5,11,14-15H,6-10,12-13H2,1-3H3
InChIKeyQWBFFCLEAIRNMY-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.83
Rot. Bonds4

About (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone

(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 51197836) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID51197836
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C19H28N2O5S/c1-14-10-15(2)13-20(12-14)19(22)17-11-16(4-5-18(17)25-3)27(23,24)21-6-8-26-9-7-21/h4-5,11,14-15H,6-10,12-13H2,1-3H3
InChIKeyQWBFFCLEAIRNMY-UHFFFAOYSA-N
XLogP1.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 119410371
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 9489943
[(2S)-2-ethyl-1,4-oxazepan-4-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 100693385
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665354
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51525680
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918278
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55644383
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8543760

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone (CID 51197836) is (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QWBFFCLEAIRNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-14-10-15(2)13-20(12-14)19(22)17-11-16(4-5-18(17)25-3)27(23,24)21-6-8-26-9-7-21/h4-5,11,14-15H,6-10,12-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 396.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 51197836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).