N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide

C12H22F2N2O2 — CID 114154248

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CO)C1CCCNC1
InChIInChI=1S/C12H22F2N2O2/c1-11(2,9-4-3-5-15-6-9)10(18)16-7-12(13,14)8-17/h9,15,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyPGLTTYBTSIUHNU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.76
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 114154248) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID114154248
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CO)C1CCCNC1
InChIInChI=1S/C12H22F2N2O2/c1-11(2,9-4-3-5-15-6-9)10(18)16-7-12(13,14)8-17/h9,15,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyPGLTTYBTSIUHNU-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168401
N-(2-hydroxyethyl)-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55049436
N-(2-hydroxyethyl)-2-piperidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 55105632
N-(3-ethoxypropyl)-2-piperidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62675968
N-(2-hydroxyethyl)-4-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 63128898
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 64068008
4-(2-aminoethyl)-N-(2-hydroxyethyl)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64359203
N-(3-hydroxypropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 64591682
N-(3-hydroxypropyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78895891
N-(3-hydroxy-2,2-dimethylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932831
4,4-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)cyclohexane-1-carboxamide
CID 81932832

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide (CID 114154248) is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide is CC(C)(C(=O)NCC(F)(F)CO)C1CCCNC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is PGLTTYBTSIUHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-11(2,9-4-3-5-15-6-9)10(18)16-7-12(13,14)8-17/h9,15,17H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 114154248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).