2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

C25H32ClN3O4S — CID 110828503

IUPAC2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccccc1Cl)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H32ClN3O4S/c26-23-7-3-2-6-22(23)24(28-12-4-1-5-13-28)18-27-19-25(30)20-8-10-21(11-9-20)34(31,32)29-14-16-33-17-15-29/h2-3,6-11,24,27H,1,4-5,12-19H2
InChIKeyWCDGZOITGVUFAD-UHFFFAOYSA-N
MW506.07 g/mol
LogP3.36
Rot. Bonds9

About 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110828503) has the molecular formula C25H32ClN3O4S and a molecular weight of 506.07 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110828503
Molecular FormulaC25H32ClN3O4S
Molecular Weight506.07 g/mol
Exact Mass505.18
IUPAC Name2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNCC(c1ccccc1Cl)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H32ClN3O4S/c26-23-7-3-2-6-22(23)24(28-12-4-1-5-13-28)18-27-19-25(30)20-8-10-21(11-9-20)34(31,32)29-14-16-33-17-15-29/h2-3,6-11,24,27H,1,4-5,12-19H2
InChIKeyWCDGZOITGVUFAD-UHFFFAOYSA-N
XLogP3.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.07
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089
2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829599
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
1-(4-bromophenyl)-2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825597
2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828098
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829462
2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829463
2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828493
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401
4-[[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzoic acid
CID 122030156
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828342

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (CID 110828503) is 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is O=C(CNCC(c1ccccc1Cl)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is WCDGZOITGVUFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O4S/c26-23-7-3-2-6-22(23)24(28-12-4-1-5-13-28)18-27-19-25(30)20-8-10-21(11-9-20)34(31,32)29-14-16-33-17-15-29/h2-3,6-11,24,27H,1,4-5,12-19H2.
What are the key properties of 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 506.07 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110828503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).