2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide

C15H21F2N3O2 — CID 153338973

IUPAC2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(F)(F)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C15H21F2N3O2/c1-11-4-3-7-18-13(11)22-10-15(16,17)14(21)19-12-5-8-20(2)9-6-12/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyDVCCMVVVIBYDBU-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.61
Rot. Bonds5

About 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide

2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide (PubChem CID 153338973) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
PubChem CID153338973
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(F)(F)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C15H21F2N3O2/c1-11-4-3-7-18-13(11)22-10-15(16,17)14(21)19-12-5-8-20(2)9-6-12/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyDVCCMVVVIBYDBU-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 146423617
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402133
N-(1,3-dimethylpiperidin-4-yl)-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402139
3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402354
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
2,2-dimethyl-N-[(3R,4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402182
2,2-dimethyl-N-[(4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146424085
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid
CID 166772595
3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402380
N-(1-propan-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47024234
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384468

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The IUPAC name of 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide (CID 153338973) is 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The canonical SMILES for 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide is Cc1cccnc1OCC(F)(F)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The InChIKey is DVCCMVVVIBYDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-11-4-3-7-18-13(11)22-10-15(16,17)14(21)19-12-5-8-20(2)9-6-12/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide has a molecular weight of 313.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide is sourced from PubChem (CID 153338973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).