N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C15H19Cl2FN2O2 — CID 119686419

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)CCNCC1
InChIInChI=1S/C15H19Cl2FN2O2/c1-9(10-7-13(18)12(17)8-11(10)16)20-14(21)15(22-2)3-5-19-6-4-15/h7-9,19H,3-6H2,1-2H3,(H,20,21)
InChIKeyMEBHHLDNYDUFEE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119686419) has the molecular formula C15H19Cl2FN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119686419
Molecular FormulaC15H19Cl2FN2O2
Molecular Weight349.23 g/mol
Exact Mass348.08
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)CCNCC1
InChIInChI=1S/C15H19Cl2FN2O2/c1-9(10-7-13(18)12(17)8-11(10)16)20-14(21)15(22-2)3-5-19-6-4-15/h7-9,19H,3-6H2,1-2H3,(H,20,21)
InChIKeyMEBHHLDNYDUFEE-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119686419) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)CCNCC1.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is MEBHHLDNYDUFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2FN2O2/c1-9(10-7-13(18)12(17)8-11(10)16)20-14(21)15(22-2)3-5-19-6-4-15/h7-9,19H,3-6H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119686419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).