1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide

C24H30FN3O4S — CID 55331695

IUPAC1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30FN3O4S/c25-20-11-9-19(10-12-20)23(27-14-16-32-17-15-27)18-26-24(29)22-8-4-5-13-28(22)33(30,31)21-6-2-1-3-7-21/h1-3,6-7,9-12,22-23H,4-5,8,13-18H2,(H,26,29)
InChIKeyAEGKVWIZRVIALT-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.56
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide (PubChem CID 55331695) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
PubChem CID55331695
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30FN3O4S/c25-20-11-9-19(10-12-20)23(27-14-16-32-17-15-27)18-26-24(29)22-8-4-5-13-28(22)33(30,31)21-6-2-1-3-7-21/h1-3,6-7,9-12,22-23H,4-5,8,13-18H2,(H,26,29)
InChIKeyAEGKVWIZRVIALT-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
CID 78866856
1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 17488224
1-(benzenesulfonyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]piperidine-2-carboxamide
CID 55641996
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55331672
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 4787425
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
(2R)-1-(4-fluorophenyl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-2-carboxamide
CID 92626037

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide (CID 55331695) is 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
The InChIKey is AEGKVWIZRVIALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c25-20-11-9-19(10-12-20)23(27-14-16-32-17-15-27)18-26-24(29)22-8-4-5-13-28(22)33(30,31)21-6-2-1-3-7-21/h1-3,6-7,9-12,22-23H,4-5,8,13-18H2,(H,26,29).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide is sourced from PubChem (CID 55331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).