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

C11H18F2N2O3 — CID 103770232

IUPAC1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C11H18F2N2O3/c1-7(16)15-4-2-3-8(6-15)11(18)14-5-9(17)10(12)13/h8-10,17H,2-6H2,1H3,(H,14,18)
InChIKeyFOTBNGIHSUGCMJ-UHFFFAOYSA-N
MW264.27 g/mol
LogP-0.01
Rot. Bonds4

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

1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 103770232) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID103770232
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C11H18F2N2O3/c1-7(16)15-4-2-3-8(6-15)11(18)14-5-9(17)10(12)13/h8-10,17H,2-6H2,1H3,(H,14,18)
InChIKeyFOTBNGIHSUGCMJ-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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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide (CID 103770232) is 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCC(O)C(F)F)C1.
What is the InChIKey of 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is FOTBNGIHSUGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7(16)15-4-2-3-8(6-15)11(18)14-5-9(17)10(12)13/h8-10,17H,2-6H2,1H3,(H,14,18).
What are the key properties of 1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide?
1-acetyl-N-(3,3-difluoro-2-hydroxypropyl)piperidine-3-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-(3,3-difluoro-2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 103770232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).