N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide

C52H52Cl2F4N6O4 — CID 137423683

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cc(F)ccc2F)CC1.O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cc(F)ccc2F)CC1
InChIInChI=1S/2C26H26ClF2N3O2/c2*27-20-6-4-18(5-7-20)25(23-3-1-2-12-30-23)31-26(33)19-10-13-32(14-11-19)15-16-34-24-17-21(28)8-9-22(24)29/h2*1-9,12,17,19,25H,10-11,13-16H2,(H,31,33)
InChIKeyNQEBTOZZMPUXIQ-UHFFFAOYSA-N
MW971.92 g/mol
LogP10.02
Rot. Bonds16

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 137423683) has the molecular formula C52H52Cl2F4N6O4 and a molecular weight of 971.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID137423683
Molecular FormulaC52H52Cl2F4N6O4
Molecular Weight971.92 g/mol
Exact Mass970.34
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cc(F)ccc2F)CC1.O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cc(F)ccc2F)CC1
InChIInChI=1S/2C26H26ClF2N3O2/c2*27-20-6-4-18(5-7-20)25(23-3-1-2-12-30-23)31-26(33)19-10-13-32(14-11-19)15-16-34-24-17-21(28)8-9-22(24)29/h2*1-9,12,17,19,25H,10-11,13-16H2,(H,31,33)
InChIKeyNQEBTOZZMPUXIQ-UHFFFAOYSA-N
XLogP10.02
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.92
LogP ≤ 510.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide (CID 137423683) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cc(F)ccc2F)CC1.O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is NQEBTOZZMPUXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26ClF2N3O2/c2*27-20-6-4-18(5-7-20)25(23-3-1-2-12-30-23)31-26(33)19-10-13-32(14-11-19)15-16-34-24-17-21(28)8-9-22(24)29/h2*1-9,12,17,19,25H,10-11,13-16H2,(H,31,33).
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 971.92 g/mol, XLogP of 10.02, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 137423683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).