N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide

C9H16F2N2O — CID 84595795

IUPACN-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC(F)F)C1
InChIInChI=1S/C9H16F2N2O/c1-7-3-2-4-13(6-7)9(14)12-5-8(10)11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyZFNDLPSMPCUNCG-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.69
Rot. Bonds2

About N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide

N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 84595795) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
PubChem CID84595795
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC(F)F)C1
InChIInChI=1S/C9H16F2N2O/c1-7-3-2-4-13(6-7)9(14)12-5-8(10)11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyZFNDLPSMPCUNCG-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide (CID 84595795) is N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is ZFNDLPSMPCUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-7-3-2-4-13(6-7)9(14)12-5-8(10)11/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide?
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 84595795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).