N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide

C18H24F2N2O3 — CID 127996993

IUPACN-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)N1CCC(C2CCCO2)CC1
InChIInChI=1S/C18H24F2N2O3/c19-15-4-3-14(12-16(15)20)24-11-7-21-18(23)22-8-5-13(6-9-22)17-2-1-10-25-17/h3-4,12-13,17H,1-2,5-11H2,(H,21,23)
InChIKeyWCTQVMRTCFTSHE-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide

N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide (PubChem CID 127996993) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
PubChem CID127996993
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)N1CCC(C2CCCO2)CC1
InChIInChI=1S/C18H24F2N2O3/c19-15-4-3-14(12-16(15)20)24-11-7-21-18(23)22-8-5-13(6-9-22)17-2-1-10-25-17/h3-4,12-13,17H,1-2,5-11H2,(H,21,23)
InChIKeyWCTQVMRTCFTSHE-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95759878
(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
CID 95614768
1-[2-(3-chloro-4-fluorophenoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016057
2-(3,4-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 62598927
(2S)-N-[2-(4-cyanophenoxy)ethyl]-2-[(2R)-oxolan-2-yl]pyrrolidine-1-carboxamide
CID 100641037
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
1-[2-(4-chloro-3-fluorophenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122016449
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 138033864
N-[2-(1H-indol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99789227

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide (CID 127996993) is N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide is O=C(NCCOc1ccc(F)c(F)c1)N1CCC(C2CCCO2)CC1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is WCTQVMRTCFTSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c19-15-4-3-14(12-16(15)20)24-11-7-21-18(23)22-8-5-13(6-9-22)17-2-1-10-25-17/h3-4,12-13,17H,1-2,5-11H2,(H,21,23).
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide?
N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127996993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).