1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H23N3O3 — CID 2921316

IUPAC1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-7-5-16(6-8-18)20(25)23-12-9-15(10-13-23)19(24)22-14-17-4-2-3-11-21-17/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24)
InChIKeyJVOSVRGCJFAYDN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2921316) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2921316
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-7-5-16(6-8-18)20(25)23-12-9-15(10-13-23)19(24)22-14-17-4-2-3-11-21-17/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24)
InChIKeyJVOSVRGCJFAYDN-UHFFFAOYSA-N
XLogP2.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 2921316) is 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JVOSVRGCJFAYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-7-5-16(6-8-18)20(25)23-12-9-15(10-13-23)19(24)22-14-17-4-2-3-11-21-17/h2-8,11,15H,9-10,12-14H2,1H3,(H,22,24).
What are the key properties of 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2921316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).