4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide

C18H21N3O3 — CID 119884858

IUPAC4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(Oc3ccccn3)c2)CCNCC1
InChIInChI=1S/C18H21N3O3/c1-23-18(8-11-19-12-9-18)17(22)21-14-5-4-6-15(13-14)24-16-7-2-3-10-20-16/h2-7,10,13,19H,8-9,11-12H2,1H3,(H,21,22)
InChIKeySUXBEELLBBHOAU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds5

About 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide

4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 119884858) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID119884858
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(Oc3ccccn3)c2)CCNCC1
InChIInChI=1S/C18H21N3O3/c1-23-18(8-11-19-12-9-18)17(22)21-14-5-4-6-15(13-14)24-16-7-2-3-10-20-16/h2-7,10,13,19H,8-9,11-12H2,1H3,(H,21,22)
InChIKeySUXBEELLBBHOAU-UHFFFAOYSA-N
XLogP2.58
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide (CID 119884858) is 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide is COC1(C(=O)Nc2cccc(Oc3ccccn3)c2)CCNCC1.
What is the InChIKey of 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is SUXBEELLBBHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-18(8-11-19-12-9-18)17(22)21-14-5-4-6-15(13-14)24-16-7-2-3-10-20-16/h2-7,10,13,19H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide?
4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-pyridin-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119884858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).