N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide

C14H18F2N2O2 — CID 119320549

IUPACN-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)C1CCCNC1
InChIInChI=1S/C14H18F2N2O2/c15-12-4-3-11(8-13(12)16)20-7-6-18-14(19)10-2-1-5-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyCKMMIKYIKKXXQA-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide

N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 119320549) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
PubChem CID119320549
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)C1CCCNC1
InChIInChI=1S/C14H18F2N2O2/c15-12-4-3-11(8-13(12)16)20-7-6-18-14(19)10-2-1-5-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyCKMMIKYIKKXXQA-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-[2-(3,4-difluorophenoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124614733
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
CID 95614768
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
(3S)-N-[2-(3-methoxyphenoxy)ethyl]pyrrolidine-3-carboxamide
CID 124687672
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119900807
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
trans-(1R,2R)-2-[2-(3,4-difluorophenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125154161
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide (CID 119320549) is N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide is O=C(NCCOc1ccc(F)c(F)c1)C1CCCNC1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is CKMMIKYIKKXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-12-4-3-11(8-13(12)16)20-7-6-18-14(19)10-2-1-5-17-9-10/h3-4,8,10,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide?
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119320549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).