1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

C20H30N2O5S — CID 55976461

IUPAC1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCCOC1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H30N2O5S/c1-2-27-18-9-11-21(12-10-18)20(23)8-5-17-3-6-19(7-4-17)28(24,25)22-13-15-26-16-14-22/h3-4,6-7,18H,2,5,8-16H2,1H3
InChIKeyMXUBDNJUUJEBJK-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.67
Rot. Bonds7

About 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one (PubChem CID 55976461) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
PubChem CID55976461
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCCOC1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H30N2O5S/c1-2-27-18-9-11-21(12-10-18)20(23)8-5-17-3-6-19(7-4-17)28(24,25)22-13-15-26-16-14-22/h3-4,6-7,18H,2,5,8-16H2,1H3
InChIKeyMXUBDNJUUJEBJK-UHFFFAOYSA-N
XLogP1.67
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 55950402
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316309
1-(2-methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 119473271
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55867380
ethyl 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate
CID 55345023
ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate
CID 17458579
1-(4-aminopiperidin-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119373424
N-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 30888733
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316289
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one (CID 55976461) is 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one is CCOC1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The InChIKey is MXUBDNJUUJEBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-2-27-18-9-11-21(12-10-18)20(23)8-5-17-3-6-19(7-4-17)28(24,25)22-13-15-26-16-14-22/h3-4,6-7,18H,2,5,8-16H2,1H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one has a molecular weight of 410.54 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 55976461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).