N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide

C15H20F2N2O2 — CID 4818615

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2/c1-11-4-2-3-9-19(11)10-14(20)18-12-5-7-13(8-6-12)21-15(16)17/h5-8,11,15H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyPNBNUNVHJNDDHZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.10
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 4818615) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID4818615
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCC1CCCCN1CC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2/c1-11-4-2-3-9-19(11)10-14(20)18-12-5-7-13(8-6-12)21-15(16)17/h5-8,11,15H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyPNBNUNVHJNDDHZ-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 126769632
(2R)-N-cyclopropyl-1-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 129366952
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2677187
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide (CID 4818615) is N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide is CC1CCCCN1CC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is PNBNUNVHJNDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-11-4-2-3-9-19(11)10-14(20)18-12-5-7-13(8-6-12)21-15(16)17/h5-8,11,15H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 298.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 4818615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).