N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide

C30H31N3O2 — CID 71458516

IUPACN-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C30H31N3O2/c34-30(28-15-14-25-10-4-6-12-27(25)32-28)31-22-23-16-18-33(19-17-23)20-21-35-29-13-7-5-11-26(29)24-8-2-1-3-9-24/h1-15,23H,16-22H2,(H,31,34)
InChIKeyLUXFPHQVVHGATF-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.42
Rot. Bonds8

About N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide

N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 71458516) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID71458516
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC NameN-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide
SMILESO=C(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1
InChIInChI=1S/C30H31N3O2/c34-30(28-15-14-25-10-4-6-12-27(25)32-28)31-22-23-16-18-33(19-17-23)20-21-35-29-13-7-5-11-26(29)24-8-2-1-3-9-24/h1-15,23H,16-22H2,(H,31,34)
InChIKeyLUXFPHQVVHGATF-UHFFFAOYSA-N
XLogP5.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide (CID 71458516) is N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide is O=C(NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is LUXFPHQVVHGATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-30(28-15-14-25-10-4-6-12-27(25)32-28)31-22-23-16-18-33(19-17-23)20-21-35-29-13-7-5-11-26(29)24-8-2-1-3-9-24/h1-15,23H,16-22H2,(H,31,34).
What are the key properties of N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide?
N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 71458516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).