[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone

C16H21F2NO4S — CID 75399592

IUPAC[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
SMILESCOCC1(C)CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C16H21F2NO4S/c1-16(11-23-2)7-9-19(10-8-16)14(20)12-3-5-13(6-4-12)24(21,22)15(17)18/h3-6,15H,7-11H2,1-2H3
InChIKeyUYYFNLMYJRAADS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.57
Rot. Bonds5

About [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone

[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone (PubChem CID 75399592) has the molecular formula C16H21F2NO4S and a molecular weight of 361.41 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
PubChem CID75399592
Molecular FormulaC16H21F2NO4S
Molecular Weight361.41 g/mol
Exact Mass361.12
IUPAC Name[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
SMILESCOCC1(C)CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C16H21F2NO4S/c1-16(11-23-2)7-9-19(10-8-16)14(20)12-3-5-13(6-4-12)24(21,22)15(17)18/h3-6,15H,7-11H2,1-2H3
InChIKeyUYYFNLMYJRAADS-UHFFFAOYSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 107160093
[4-(aminomethyl)piperidin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone;hydrochloride
CID 119423356
N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 30872026
2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55371884
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 112767085
[1-[4-(difluoromethylsulfonyl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55707770
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 34477179
1-[4-(difluoromethylsulfonyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile
CID 58551815

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone (CID 75399592) is [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone is COCC1(C)CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
The InChIKey is UYYFNLMYJRAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO4S/c1-16(11-23-2)7-9-19(10-8-16)14(20)12-3-5-13(6-4-12)24(21,22)15(17)18/h3-6,15H,7-11H2,1-2H3.
What are the key properties of [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone?
[4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone has a molecular weight of 361.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)phenyl]-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 75399592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).