1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide

C11H18F2N2O3 — CID 104857306

IUPAC1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(F)(F)CO)CC1
InChIInChI=1S/C11H18F2N2O3/c1-8(17)15-4-2-9(3-5-15)10(18)14-6-11(12,13)7-16/h9,16H,2-7H2,1H3,(H,14,18)
InChIKeyYEHNBLSBIHQKQB-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.01
Rot. Bonds4

About 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide

1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 104857306) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID104857306
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(F)(F)CO)CC1
InChIInChI=1S/C11H18F2N2O3/c1-8(17)15-4-2-9(3-5-15)10(18)14-6-11(12,13)7-16/h9,16H,2-7H2,1H3,(H,14,18)
InChIKeyYEHNBLSBIHQKQB-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 92633544
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide (CID 104857306) is 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC(F)(F)CO)CC1.
What is the InChIKey of 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is YEHNBLSBIHQKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-8(17)15-4-2-9(3-5-15)10(18)14-6-11(12,13)7-16/h9,16H,2-7H2,1H3,(H,14,18).
What are the key properties of 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide?
1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 264.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 104857306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).