2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide

C9H16F2N2O — CID 131048531

IUPAC2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
SMILESCC1CCNCC1NC(=O)C(C)(F)F
InChIInChI=1S/C9H16F2N2O/c1-6-3-4-12-5-7(6)13-8(14)9(2,10)11/h6-7,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyYOOUVBJCCGZURK-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.76
Rot. Bonds2

About 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide

2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide (PubChem CID 131048531) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
PubChem CID131048531
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
SMILESCC1CCNCC1NC(=O)C(C)(F)F
InChIInChI=1S/C9H16F2N2O/c1-6-3-4-12-5-7(6)13-8(14)9(2,10)11/h6-7,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyYOOUVBJCCGZURK-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(4-methylpiperidin-3-yl)butanamide
CID 63329342
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
1-tert-butyl-3-(4-methylpiperidin-3-yl)urea
CID 63329745
2-bromo-N-(4-methylpiperidin-3-yl)acetamide
CID 165439704
N-(4-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602524
2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
CID 156654436
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
(3R)-N-tert-butyl-4-methylpiperidin-3-amine
CID 155223046
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
1-amino-N-(4-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 122081101
N-(4-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602525

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide?
The IUPAC name of 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide (CID 131048531) is 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide is CC1CCNCC1NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide?
The InChIKey is YOOUVBJCCGZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-6-3-4-12-5-7(6)13-8(14)9(2,10)11/h6-7,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide?
2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide has a molecular weight of 206.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 131048531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).