3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide

C9H16F2N2O — CID 118330203

IUPAC3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-4-9(10,11)6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyUBNIVNVHUKUVSM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds1

About 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide

3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 118330203) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID118330203
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-4-9(10,11)6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyUBNIVNVHUKUVSM-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide (CID 118330203) is 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is UBNIVNVHUKUVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-4-9(10,11)6-13/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 118330203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).