1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide

C22H27FN2O3S — CID 47868124

IUPAC1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H27FN2O3S/c1-16(2)18-5-4-6-20(15-18)24(3)22(26)17-11-13-25(14-12-17)29(27,28)21-9-7-19(23)8-10-21/h4-10,15-17H,11-14H2,1-3H3
InChIKeyGNCDTCDMNRPVBQ-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 47868124) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID47868124
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H27FN2O3S/c1-16(2)18-5-4-6-20(15-18)24(3)22(26)17-11-13-25(14-12-17)29(27,28)21-9-7-19(23)8-10-21/h4-10,15-17H,11-14H2,1-3H3
InChIKeyGNCDTCDMNRPVBQ-UHFFFAOYSA-N
XLogP4.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 100798996
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 8802762
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100800356
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
N-methyl-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119752994
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935033
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
(3-fluorophenyl)methyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 16541300
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide (CID 47868124) is 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is GNCDTCDMNRPVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-16(2)18-5-4-6-20(15-18)24(3)22(26)17-11-13-25(14-12-17)29(27,28)21-9-7-19(23)8-10-21/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47868124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).