1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide

C24H31N3O3 — CID 78816437

IUPAC1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NC(C)c2ccncc2)C1c1ccccc1OC
InChIInChI=1S/C24H31N3O3/c1-4-5-16-27-22(28)11-10-20(23(27)19-8-6-7-9-21(19)30-3)24(29)26-17(2)18-12-14-25-15-13-18/h6-9,12-15,17,20,23H,4-5,10-11,16H2,1-3H3,(H,26,29)
InChIKeyZNQZIACTQUIIKI-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.05
Rot. Bonds8

About 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide

1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide (PubChem CID 78816437) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
PubChem CID78816437
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NC(C)c2ccncc2)C1c1ccccc1OC
InChIInChI=1S/C24H31N3O3/c1-4-5-16-27-22(28)11-10-20(23(27)19-8-6-7-9-21(19)30-3)24(29)26-17(2)18-12-14-25-15-13-18/h6-9,12-15,17,20,23H,4-5,10-11,16H2,1-3H3,(H,26,29)
InChIKeyZNQZIACTQUIIKI-UHFFFAOYSA-N
XLogP4.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide (CID 78816437) is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NC(C)c2ccncc2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
The InChIKey is ZNQZIACTQUIIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-5-16-27-22(28)11-10-20(23(27)19-8-6-7-9-21(19)30-3)24(29)26-17(2)18-12-14-25-15-13-18/h6-9,12-15,17,20,23H,4-5,10-11,16H2,1-3H3,(H,26,29).
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide?
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 78816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).