1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide

C22H27FN2O4S — CID 27040123

IUPAC1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-17-6-4-7-19(16-17)29-15-5-12-24-22(26)18-10-13-25(14-11-18)30(27,28)21-9-3-2-8-20(21)23/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,24,26)
InChIKeyKUAAMCQDHNJOAL-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.12
Rot. Bonds8

About 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide (PubChem CID 27040123) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
PubChem CID27040123
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
SMILESCc1cccc(OCCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-17-6-4-7-19(16-17)29-15-5-12-24-22(26)18-10-13-25(14-11-18)30(27,28)21-9-3-2-8-20(21)23/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,24,26)
InChIKeyKUAAMCQDHNJOAL-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
N-(4-butoxy-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55977241
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide
CID 38459999
2-(3-methylphenoxy)ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394636
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 9224222

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide (CID 27040123) is 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide is Cc1cccc(OCCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
The InChIKey is KUAAMCQDHNJOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-17-6-4-7-19(16-17)29-15-5-12-24-22(26)18-10-13-25(14-11-18)30(27,28)21-9-3-2-8-20(21)23/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,24,26).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 27040123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).