1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide

C22H27FN2O4S — CID 30388912

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-17-2-8-21(9-3-17)29-15-12-24-22(26)19-10-13-25(14-11-19)30(27,28)16-18-4-6-20(23)7-5-18/h2-9,19H,10-16H2,1H3,(H,24,26)
InChIKeyDIICBAHYAIOBMX-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.87
Rot. Bonds8

About 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide

1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 30388912) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
PubChem CID30388912
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-17-2-8-21(9-3-17)29-15-12-24-22(26)19-10-13-25(14-11-19)30(27,28)16-18-4-6-20(23)7-5-18/h2-9,19H,10-16H2,1H3,(H,24,26)
InChIKeyDIICBAHYAIOBMX-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
1-[(4-bromophenyl)methylsulfonyl]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine-4-carboxamide
CID 43907496
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483
N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
1-[(4-bromophenyl)methylsulfonyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 53283935
N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969585
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 46764106
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide (CID 30388912) is 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide is Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is DIICBAHYAIOBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-17-2-8-21(9-3-17)29-15-12-24-22(26)19-10-13-25(14-11-19)30(27,28)16-18-4-6-20(23)7-5-18/h2-9,19H,10-16H2,1H3,(H,24,26).
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide?
1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 30388912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).