[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C19H28N2O5S — CID 110602769

IUPAC[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCOCC1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C19H28N2O5S/c1-2-25-15-16-4-3-9-20(14-16)19(22)17-5-7-18(8-6-17)27(23,24)21-10-12-26-13-11-21/h5-8,16H,2-4,9-15H2,1H3
InChIKeyGKHRNJKTHAYWNH-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.60
Rot. Bonds6

About [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 110602769) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID110602769
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCCOCC1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C19H28N2O5S/c1-2-25-15-16-4-3-9-20(14-16)19(22)17-5-7-18(8-6-17)27(23,24)21-10-12-26-13-11-21/h5-8,16H,2-4,9-15H2,1H3
InChIKeyGKHRNJKTHAYWNH-UHFFFAOYSA-N
XLogP1.60
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(prop-2-ynoxymethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90505432
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90593367
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119978011
[4-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone
CID 71979424
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 110602769) is [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is CCOCC1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is GKHRNJKTHAYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-2-25-15-16-4-3-9-20(14-16)19(22)17-5-7-18(8-6-17)27(23,24)21-10-12-26-13-11-21/h5-8,16H,2-4,9-15H2,1H3.
What are the key properties of [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 396.51 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 110602769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).