1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide

C20H31N3O4S — CID 48664133

IUPAC1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H31N3O4S/c1-3-28(25,26)23-10-8-18(9-11-23)20(24)21-16(2)17-4-6-19(7-5-17)22-12-14-27-15-13-22/h4-7,16,18H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyWAZOPZNXXNAPTR-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.76
Rot. Bonds6

About 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 48664133) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID48664133
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H31N3O4S/c1-3-28(25,26)23-10-8-18(9-11-23)20(24)21-16(2)17-4-6-19(7-5-17)22-12-14-27-15-13-22/h4-7,16,18H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyWAZOPZNXXNAPTR-UHFFFAOYSA-N
XLogP1.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-ethylsulfonyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95880424
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
N-[1-(4-methylphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43916032
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100693033
1-(2-morpholin-4-ylpyrimidin-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 53146248
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 133201697
(3R)-1-methylsulfonyl-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95118836
1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 51940554
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide (CID 48664133) is 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC(C)c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is WAZOPZNXXNAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-28(25,26)23-10-8-18(9-11-23)20(24)21-16(2)17-4-6-19(7-5-17)22-12-14-27-15-13-22/h4-7,16,18H,3,8-15H2,1-2H3,(H,21,24).
What are the key properties of 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 48664133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).