4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide

C9H16F2N2O — CID 121184657

IUPAC4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-9(10,11)4-6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyAGASRFSWUXWJJM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds1

About 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide

4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 121184657) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID121184657
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-9(10,11)4-6-13/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyAGASRFSWUXWJJM-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 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide (CID 121184657) is 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is AGASRFSWUXWJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7(2)12-8(14)13-5-3-9(10,11)4-6-13/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide?
4,4-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 4,4-difluoro-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 121184657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).