1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide

C9H17FN2O — CID 177192063

IUPAC1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide
SMILESCCN1CCC(C)(F)CC1C(N)=O
InChIInChI=1S/C9H17FN2O/c1-3-12-5-4-9(2,10)6-7(12)8(11)13/h7H,3-6H2,1-2H3,(H2,11,13)
InChIKeyNLUJAXKACIBJRR-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.68
Rot. Bonds2

About 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide

1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide (PubChem CID 177192063) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide
PubChem CID177192063
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide
SMILESCCN1CCC(C)(F)CC1C(N)=O
InChIInChI=1S/C9H17FN2O/c1-3-12-5-4-9(2,10)6-7(12)8(11)13/h7H,3-6H2,1-2H3,(H2,11,13)
InChIKeyNLUJAXKACIBJRR-UHFFFAOYSA-N
XLogP0.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide?
The IUPAC name of 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide (CID 177192063) is 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide is CCN1CCC(C)(F)CC1C(N)=O.
What is the InChIKey of 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide?
The InChIKey is NLUJAXKACIBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-3-12-5-4-9(2,10)6-7(12)8(11)13/h7H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide?
1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide has a molecular weight of 188.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 177192063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).