N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide

C23H29F3N4O3 — CID 10552164

IUPACN,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3
InChIKeyLIKJINLMRISDIC-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.36
Rot. Bonds9

About N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide

N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 10552164) has the molecular formula C23H29F3N4O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID10552164
Molecular FormulaC23H29F3N4O3
Molecular Weight466.50 g/mol
Exact Mass466.22
IUPAC NameN,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3
InChIKeyLIKJINLMRISDIC-UHFFFAOYSA-N
XLogP3.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide (CID 10552164) is N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)c1cccnc1N1CCC(NCCOc2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is LIKJINLMRISDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O3/c1-29(2)22(31)18-6-5-11-28-21(18)30-13-9-17(10-14-30)27-12-15-32-19-7-3-4-8-20(19)33-16-23(24,25)26/h3-8,11,17,27H,9-10,12-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide?
N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10552164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).