4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide

C18H21N3O2 — CID 156502181

IUPAC4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(C2(C(N)=O)CCNCC2)cn1
InChIInChI=1S/C18H21N3O2/c1-23-16-5-3-2-4-14(16)15-7-6-13(12-21-15)18(17(19)22)8-10-20-11-9-18/h2-7,12,20H,8-11H2,1H3,(H2,19,22)
InChIKeyGWWNKXLGFHWMPQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.86
Rot. Bonds4

About 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide

4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 156502181) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID156502181
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1ccc(C2(C(N)=O)CCNCC2)cn1
InChIInChI=1S/C18H21N3O2/c1-23-16-5-3-2-4-14(16)15-7-6-13(12-21-15)18(17(19)22)8-10-20-11-9-18/h2-7,12,20H,8-11H2,1H3,(H2,19,22)
InChIKeyGWWNKXLGFHWMPQ-UHFFFAOYSA-N
XLogP1.86
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide (CID 156502181) is 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide is COc1ccccc1-c1ccc(C2(C(N)=O)CCNCC2)cn1.
What is the InChIKey of 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GWWNKXLGFHWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-5-3-2-4-14(16)15-7-6-13(12-21-15)18(17(19)22)8-10-20-11-9-18/h2-7,12,20H,8-11H2,1H3,(H2,19,22).
What are the key properties of 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide?
4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyphenyl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 156502181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).