7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane

C18H24F2N2O4S — CID 146627942

IUPAC7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCC(N2CCC3(COC3)C2)CC1
InChIInChI=1S/C18H24F2N2O4S/c19-17(20)26-15-1-3-16(4-2-15)27(23,24)22-8-5-14(6-9-22)21-10-7-18(11-21)12-25-13-18/h1-4,14,17H,5-13H2
InChIKeyWNBCFELJKVEVOW-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.16
Rot. Bonds5

About 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane

7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane (PubChem CID 146627942) has the molecular formula C18H24F2N2O4S and a molecular weight of 402.46 g/mol. Its IUPAC name is 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane
PubChem CID146627942
Molecular FormulaC18H24F2N2O4S
Molecular Weight402.46 g/mol
Exact Mass402.14
IUPAC Name7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCC(N2CCC3(COC3)C2)CC1
InChIInChI=1S/C18H24F2N2O4S/c19-17(20)26-15-1-3-16(4-2-15)27(23,24)22-8-5-14(6-9-22)21-10-7-18(11-21)12-25-13-18/h1-4,14,17H,5-13H2
InChIKeyWNBCFELJKVEVOW-UHFFFAOYSA-N
XLogP2.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane 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

1-[(4-Methoxyphenyl)sulfonyl]-4-(pyrrolidin-1-yl)piperidine
CID 1121648
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
1-[2-[(2R)-1-[3-(2-(18F)fluoroethoxy)phenyl]sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 168283760
1'-((4-(Difluoromethoxy)phenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308421
1-[1-[4-(Difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 118314260
4-Methyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]piperidine
CID 141659834
1-[2-[(2R)-1-[(3-Methoxyphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-methylpiperidine
CID 10499156
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368705
N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3434273
(3S*,4R*)-1-{[4-(difluoromethoxy)phenyl]sulfonyl}-N,N-dimethyl-4-propyl-3-pyrrolidinamine
CID 70722908
4-Methoxy-1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidine
CID 49720658
8-[4-(difluoromethoxy)phenyl]sulfonyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 168996164

Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane (CID 146627942) is 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane is O=S(=O)(c1ccc(OC(F)F)cc1)N1CCC(N2CCC3(COC3)C2)CC1.
What is the InChIKey of 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is WNBCFELJKVEVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O4S/c19-17(20)26-15-1-3-16(4-2-15)27(23,24)22-8-5-14(6-9-22)21-10-7-18(11-21)12-25-13-18/h1-4,14,17H,5-13H2.
What are the key properties of 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane?
7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 402.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 146627942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).