1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide

C20H31N3O4S — CID 55764759

IUPAC1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-2-3-16-28(25,26)23-10-8-17(9-11-23)20(24)21-18-6-4-5-7-19(18)22-12-14-27-15-13-22/h4-7,17H,2-3,8-16H2,1H3,(H,21,24)
InChIKeyMEQBRGHJLQHRGT-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.30
Rot. Bonds7

About 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 55764759) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID55764759
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C20H31N3O4S/c1-2-3-16-28(25,26)23-10-8-17(9-11-23)20(24)21-18-6-4-5-7-19(18)22-12-14-27-15-13-22/h4-7,17H,2-3,8-16H2,1H3,(H,21,24)
InChIKeyMEQBRGHJLQHRGT-UHFFFAOYSA-N
XLogP2.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55394229
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 38748916
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
N-(6-amino-1,3-benzodioxol-5-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119618314
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144996
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 55764759) is 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is MEQBRGHJLQHRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-2-3-16-28(25,26)23-10-8-17(9-11-23)20(24)21-18-6-4-5-7-19(18)22-12-14-27-15-13-22/h4-7,17H,2-3,8-16H2,1H3,(H,21,24).
What are the key properties of 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55764759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).