2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide

C15H20F2N2O2 — CID 114699967

IUPAC2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1CNCCC1CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c1-10-8-18-7-6-11(10)9-19-14(20)12-4-2-3-5-13(12)21-15(16)17/h2-5,10-11,15,18H,6-9H2,1H3,(H,19,20)
InChIKeySWEFGUWCHFJVKE-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.26
Rot. Bonds5

About 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide

2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 114699967) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
PubChem CID114699967
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
SMILESCC1CNCCC1CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H20F2N2O2/c1-10-8-18-7-6-11(10)9-19-14(20)12-4-2-3-5-13(12)21-15(16)17/h2-5,10-11,15,18H,6-9H2,1H3,(H,19,20)
InChIKeySWEFGUWCHFJVKE-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114700030
2-(difluoromethoxy)-N-(morpholin-2-ylmethyl)benzamide
CID 43602974
2-(difluoromethoxy)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280038
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
2,3-dimethoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955616
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971956
2-(difluoromethoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 79043530
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497
2-[[2-(difluoromethoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013865

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide (CID 114699967) is 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide is CC1CNCCC1CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is SWEFGUWCHFJVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10-8-18-7-6-11(10)9-19-14(20)12-4-2-3-5-13(12)21-15(16)17/h2-5,10-11,15,18H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide?
2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 114699967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).