N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide

C12H22F2N2O — CID 67579433

IUPACN,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide
SMILESCCN1CCC(F)(F)C(C(=O)N(CC)CC)C1
InChIInChI=1S/C12H22F2N2O/c1-4-15-8-7-12(13,14)10(9-15)11(17)16(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyAEPKQLRCTOIKII-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.83
Rot. Bonds4

About N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide

N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide (PubChem CID 67579433) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide.

Molecular Properties

Compound NameN,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide
PubChem CID67579433
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC NameN,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide
SMILESCCN1CCC(F)(F)C(C(=O)N(CC)CC)C1
InChIInChI=1S/C12H22F2N2O/c1-4-15-8-7-12(13,14)10(9-15)11(17)16(5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyAEPKQLRCTOIKII-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide?
The IUPAC name of N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide (CID 67579433) is N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide.
What is the SMILES notation for N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide?
The canonical SMILES for N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide is CCN1CCC(F)(F)C(C(=O)N(CC)CC)C1.
What is the InChIKey of N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide?
The InChIKey is AEPKQLRCTOIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-4-15-8-7-12(13,14)10(9-15)11(17)16(5-2)6-3/h10H,4-9H2,1-3H3.
What are the key properties of N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide?
N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide has a molecular weight of 248.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide is sourced from PubChem (CID 67579433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).