1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide

C24H25FN2O3S — CID 17493112

IUPAC1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H25FN2O3S/c1-26(17-18-10-11-19-6-2-3-7-21(19)16-18)24(28)20-12-14-27(15-13-20)31(29,30)23-9-5-4-8-22(23)25/h2-11,16,20H,12-15,17H2,1H3
InChIKeyFAOJTBYMJWCPIK-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.04
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 17493112) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID17493112
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H25FN2O3S/c1-26(17-18-10-11-19-6-2-3-7-21(19)16-18)24(28)20-12-14-27(15-13-20)31(29,30)23-9-5-4-8-22(23)25/h2-11,16,20H,12-15,17H2,1H3
InChIKeyFAOJTBYMJWCPIK-UHFFFAOYSA-N
XLogP4.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78770763
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55580678
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 154832559
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 46771784
N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide (CID 17493112) is 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FAOJTBYMJWCPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-26(17-18-10-11-19-6-2-3-7-21(19)16-18)24(28)20-12-14-27(15-13-20)31(29,30)23-9-5-4-8-22(23)25/h2-11,16,20H,12-15,17H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 17493112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).