1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

C22H27FN2O4S — CID 46771784

IUPAC1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-24(15-17-7-9-20(29-2)10-8-17)22(26)18-11-13-25(14-12-18)30(27,28)16-19-5-3-4-6-21(19)23/h3-10,18H,11-16H2,1-2H3
InChIKeyPNUCHLLRHMCZBQ-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.03
Rot. Bonds7

About 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 46771784) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID46771784
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN2O4S/c1-24(15-17-7-9-20(29-2)10-8-17)22(26)18-11-13-25(14-12-18)30(27,28)16-19-5-3-4-6-21(19)23/h3-10,18H,11-16H2,1-2H3
InChIKeyPNUCHLLRHMCZBQ-UHFFFAOYSA-N
XLogP3.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92679094
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 100687495
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 46771784) is 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PNUCHLLRHMCZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-24(15-17-7-9-20(29-2)10-8-17)22(26)18-11-13-25(14-12-18)30(27,28)16-19-5-3-4-6-21(19)23/h3-10,18H,11-16H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46771784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).