3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

C19H21F2N3O2 — CID 55735183

IUPAC3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)26-16-6-4-5-15(11-16)18(25)23-13-14-7-8-17(22-12-14)24-9-2-1-3-10-24/h4-8,11-12,19H,1-3,9-10,13H2,(H,23,25)
InChIKeyRNBAAVPSKIXEBC-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.60
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide

3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 55735183) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID55735183
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCCC2)nc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)26-16-6-4-5-15(11-16)18(25)23-13-14-7-8-17(22-12-14)24-9-2-1-3-10-24/h4-8,11-12,19H,1-3,9-10,13H2,(H,23,25)
InChIKeyRNBAAVPSKIXEBC-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide (CID 55735183) is 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(N2CCCCC2)nc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is RNBAAVPSKIXEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-19(21)26-16-6-4-5-15(11-16)18(25)23-13-14-7-8-17(22-12-14)24-9-2-1-3-10-24/h4-8,11-12,19H,1-3,9-10,13H2,(H,23,25).
What are the key properties of 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide?
3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 361.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55735183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).