N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide

C15H20F2N2O — CID 2900552

IUPACN-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O/c1-11-4-7-19(8-5-11)9-6-15(20)18-12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyAXYPRFALLUJQDM-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.03
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 2900552) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID2900552
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O/c1-11-4-7-19(8-5-11)9-6-15(20)18-12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyAXYPRFALLUJQDM-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 2900552) is N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is AXYPRFALLUJQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-11-4-7-19(8-5-11)9-6-15(20)18-12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3,(H,18,20).
What are the key properties of N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 282.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 2900552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).