N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide

C22H34N4O5S — CID 55755137

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C22H34N4O5S/c1-3-15-32(29,30)26-10-4-5-18(16-26)22(28)24(2)17-21(27)23-19-6-8-20(9-7-19)25-11-13-31-14-12-25/h6-9,18H,3-5,10-17H2,1-2H3,(H,23,27)
InChIKeyLALHRTOLXYSECS-UHFFFAOYSA-N
MW466.60 g/mol
LogP1.37
Rot. Bonds8

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55755137) has the molecular formula C22H34N4O5S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55755137
Molecular FormulaC22H34N4O5S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C22H34N4O5S/c1-3-15-32(29,30)26-10-4-5-18(16-26)22(28)24(2)17-21(27)23-19-6-8-20(9-7-19)25-11-13-31-14-12-25/h6-9,18H,3-5,10-17H2,1-2H3,(H,23,27)
InChIKeyLALHRTOLXYSECS-UHFFFAOYSA-N
XLogP1.37
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429418
1-(cyclopropanecarbonyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55630959
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359005
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8681927
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
2-[methyl-[[(2R)-oxolan-2-yl]methylcarbamothioyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8681921
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55754799

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 55755137) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is LALHRTOLXYSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5S/c1-3-15-32(29,30)26-10-4-5-18(16-26)22(28)24(2)17-21(27)23-19-6-8-20(9-7-19)25-11-13-31-14-12-25/h6-9,18H,3-5,10-17H2,1-2H3,(H,23,27).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55755137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).