N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide

C16H24FN3O2 — CID 119916756

IUPACN-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O2/c17-14-3-5-15(6-4-14)22-11-10-20-9-1-2-13(12-20)16(21)19-8-7-18/h3-6,13H,1-2,7-12,18H2,(H,19,21)
InChIKeyLWNZKDUKUGOSQT-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.99
Rot. Bonds7

About N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 119916756) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
PubChem CID119916756
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC NameN-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O2/c17-14-3-5-15(6-4-14)22-11-10-20-9-1-2-13(12-20)16(21)19-8-7-18/h3-6,13H,1-2,7-12,18H2,(H,19,21)
InChIKeyLWNZKDUKUGOSQT-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide (CID 119916756) is N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is LWNZKDUKUGOSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c17-14-3-5-15(6-4-14)22-11-10-20-9-1-2-13(12-20)16(21)19-8-7-18/h3-6,13H,1-2,7-12,18H2,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).