N-ethyl-3,3-difluoropiperidine-4-carboxamide

C8H14F2N2O — CID 130746229

IUPACN-ethyl-3,3-difluoropiperidine-4-carboxamide
SMILESCCNC(=O)C1CCNCC1(F)F
InChIInChI=1S/C8H14F2N2O/c1-2-12-7(13)6-3-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3,(H,12,13)
InChIKeyVZXKMQHXQAVUTK-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.37
Rot. Bonds2

About N-ethyl-3,3-difluoropiperidine-4-carboxamide

N-ethyl-3,3-difluoropiperidine-4-carboxamide (PubChem CID 130746229) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is N-ethyl-3,3-difluoropiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-difluoropiperidine-4-carboxamide
PubChem CID130746229
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC NameN-ethyl-3,3-difluoropiperidine-4-carboxamide
SMILESCCNC(=O)C1CCNCC1(F)F
InChIInChI=1S/C8H14F2N2O/c1-2-12-7(13)6-3-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3,(H,12,13)
InChIKeyVZXKMQHXQAVUTK-UHFFFAOYSA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoropiperidine-4-carboxamide?
The IUPAC name of N-ethyl-3,3-difluoropiperidine-4-carboxamide (CID 130746229) is N-ethyl-3,3-difluoropiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-3,3-difluoropiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-3,3-difluoropiperidine-4-carboxamide is CCNC(=O)C1CCNCC1(F)F.
What is the InChIKey of N-ethyl-3,3-difluoropiperidine-4-carboxamide?
The InChIKey is VZXKMQHXQAVUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-2-12-7(13)6-3-4-11-5-8(6,9)10/h6,11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-ethyl-3,3-difluoropiperidine-4-carboxamide?
N-ethyl-3,3-difluoropiperidine-4-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoropiperidine-4-carboxamide is sourced from PubChem (CID 130746229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).