4,4-difluoro-N-propylpiperidine-1-carboxamide

C9H16F2N2O — CID 121184661

IUPAC4,4-difluoro-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-2-5-12-8(14)13-6-3-9(10,11)4-7-13/h2-7H2,1H3,(H,12,14)
InChIKeyLTQBATLGHIPUBU-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds2

About 4,4-difluoro-N-propylpiperidine-1-carboxamide

4,4-difluoro-N-propylpiperidine-1-carboxamide (PubChem CID 121184661) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,4-difluoro-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-propylpiperidine-1-carboxamide
PubChem CID121184661
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name4,4-difluoro-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O/c1-2-5-12-8(14)13-6-3-9(10,11)4-7-13/h2-7H2,1H3,(H,12,14)
InChIKeyLTQBATLGHIPUBU-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-propylpiperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-propylpiperidine-1-carboxamide (CID 121184661) is 4,4-difluoro-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-propylpiperidine-1-carboxamide?
The InChIKey is LTQBATLGHIPUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-2-5-12-8(14)13-6-3-9(10,11)4-7-13/h2-7H2,1H3,(H,12,14).
What are the key properties of 4,4-difluoro-N-propylpiperidine-1-carboxamide?
4,4-difluoro-N-propylpiperidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 121184661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).