1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide

C21H22N4O2 — CID 16820453

IUPAC1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCc4ccccn4)c3n2)CC1
InChIInChI=1S/C21H22N4O2/c22-21(26)16-9-12-25(13-10-16)19-8-7-15-4-3-6-18(20(15)24-19)27-14-17-5-1-2-11-23-17/h1-8,11,16H,9-10,12-14H2,(H2,22,26)
InChIKeyWHMRDOWSQQSXEI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.91
Rot. Bonds5

About 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide

1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 16820453) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide
PubChem CID16820453
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cccc(OCc4ccccn4)c3n2)CC1
InChIInChI=1S/C21H22N4O2/c22-21(26)16-9-12-25(13-10-16)19-8-7-15-4-3-6-18(20(15)24-19)27-14-17-5-1-2-11-23-17/h1-8,11,16H,9-10,12-14H2,(H2,22,26)
InChIKeyWHMRDOWSQQSXEI-UHFFFAOYSA-N
XLogP2.91
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide (CID 16820453) is 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc3cccc(OCc4ccccn4)c3n2)CC1.
What is the InChIKey of 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is WHMRDOWSQQSXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-21(26)16-9-12-25(13-10-16)19-8-7-15-4-3-6-18(20(15)24-19)27-14-17-5-1-2-11-23-17/h1-8,11,16H,9-10,12-14H2,(H2,22,26).
What are the key properties of 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide?
1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(pyridin-2-ylmethoxy)quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16820453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).