N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide

C22H27FN2O4S — CID 134012689

IUPACN-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H27FN2O4S/c1-29-15-14-24(16-18-6-3-2-4-7-18)22(26)19-8-5-13-25(17-19)30(27,28)21-11-9-20(23)10-12-21/h2-4,6-7,9-12,19H,5,8,13-17H2,1H3
InChIKeyJDUYDUGRMMZQDT-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.90
Rot. Bonds8

About N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide

N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 134012689) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID134012689
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H27FN2O4S/c1-29-15-14-24(16-18-6-3-2-4-7-18)22(26)19-8-5-13-25(17-19)30(27,28)21-11-9-20(23)10-12-21/h2-4,6-7,9-12,19H,5,8,13-17H2,1H3
InChIKeyJDUYDUGRMMZQDT-UHFFFAOYSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 134012689) is N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCN(Cc1ccccc1)C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is JDUYDUGRMMZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-29-15-14-24(16-18-6-3-2-4-7-18)22(26)19-8-5-13-25(17-19)30(27,28)21-11-9-20(23)10-12-21/h2-4,6-7,9-12,19H,5,8,13-17H2,1H3.
What are the key properties of N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide?
N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134012689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).