N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide

C26H27ClFN3O2 — CID 121412868

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccc(F)cc1)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C26H27ClFN3O2/c27-21-6-4-19(5-7-21)25(24-3-1-2-14-30-24)31(26(32)20-12-15-29-16-13-20)17-18-33-23-10-8-22(28)9-11-23/h1-11,14,20,25,29H,12-13,15-18H2
InChIKeyUNONVSKRPYDMCQ-UHFFFAOYSA-N
MW467.97 g/mol
LogP4.87
Rot. Bonds8

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 121412868) has the molecular formula C26H27ClFN3O2 and a molecular weight of 467.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID121412868
Molecular FormulaC26H27ClFN3O2
Molecular Weight467.97 g/mol
Exact Mass467.18
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(C1CCNCC1)N(CCOc1ccc(F)cc1)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C26H27ClFN3O2/c27-21-6-4-19(5-7-21)25(24-3-1-2-14-30-24)31(26(32)20-12-15-29-16-13-20)17-18-33-23-10-8-22(28)9-11-23/h1-11,14,20,25,29H,12-13,15-18H2
InChIKeyUNONVSKRPYDMCQ-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.97
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide (CID 121412868) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide is O=C(C1CCNCC1)N(CCOc1ccc(F)cc1)C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is UNONVSKRPYDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O2/c27-21-6-4-19(5-7-21)25(24-3-1-2-14-30-24)31(26(32)20-12-15-29-16-13-20)17-18-33-23-10-8-22(28)9-11-23/h1-11,14,20,25,29H,12-13,15-18H2.
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 467.97 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121412868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).