3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide

C18H24F2N2O2 — CID 71836760

IUPAC3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide
SMILESCN1CCC(N(CC2CCOC2)C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-21-5-2-17(3-6-21)22(11-13-4-7-24-12-13)18(23)14-8-15(19)10-16(20)9-14/h8-10,13,17H,2-7,11-12H2,1H3
InChIKeyIMIDKVNYWSCFEN-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.54
Rot. Bonds4

About 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide

3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 71836760) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide
PubChem CID71836760
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide
SMILESCN1CCC(N(CC2CCOC2)C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-21-5-2-17(3-6-21)22(11-13-4-7-24-12-13)18(23)14-8-15(19)10-16(20)9-14/h8-10,13,17H,2-7,11-12H2,1H3
InChIKeyIMIDKVNYWSCFEN-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
1-(3-Fluorobenzoyl)-4-(3-methylbutanoyl)piperazine
CID 704283
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
[4-(Azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 660928
[1-[1-(2,5-Difluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 24817703
ethyl (1R,5S)-3-[2-[(3,4-difluorobenzoyl)amino]ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70692025
1-[4-(4-Fluorobenzoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 776697
2-Fluoro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzamide
CID 23724363

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide (CID 71836760) is 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide is CN1CCC(N(CC2CCOC2)C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is IMIDKVNYWSCFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-21-5-2-17(3-6-21)22(11-13-4-7-24-12-13)18(23)14-8-15(19)10-16(20)9-14/h8-10,13,17H,2-7,11-12H2,1H3.
What are the key properties of 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide?
3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 338.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 71836760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).