N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

C26H28ClN3O2 — CID 121427293

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-28-24)29-26(31)21-13-16-30(17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25H,13-14,16-19H2,(H,29,31)
InChIKeyGRKTUJHEOMEDNE-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.73
Rot. Bonds8

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 121427293) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID121427293
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-28-24)29-26(31)21-13-16-30(17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25H,13-14,16-19H2,(H,29,31)
InChIKeyGRKTUJHEOMEDNE-UHFFFAOYSA-N
XLogP4.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.73
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]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 121427293) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is GRKTUJHEOMEDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-22-11-9-20(10-12-22)25(24-8-4-5-15-28-24)29-26(31)21-13-16-30(17-14-21)18-19-32-23-6-2-1-3-7-23/h1-12,15,21,25H,13-14,16-19H2,(H,29,31).
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 4.73, 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]-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 121427293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).