N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide

C11H20F2N2O2 — CID 103082403

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCOCC(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-9-3-2-5-15(7-9)11(16)14-4-6-17-8-10(12)13/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyFLZHXNYWIVHNGT-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide

N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide (PubChem CID 103082403) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide
PubChem CID103082403
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCOCC(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-9-3-2-5-15(7-9)11(16)14-4-6-17-8-10(12)13/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyFLZHXNYWIVHNGT-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide (CID 103082403) is N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCCOCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is FLZHXNYWIVHNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-9-3-2-5-15(7-9)11(16)14-4-6-17-8-10(12)13/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide?
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103082403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).