1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

C24H27N3O3 — CID 24819239

IUPAC1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCc1cc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)oc1C
InChIInChI=1S/C24H27N3O3/c1-17-14-22(29-18(17)2)16-27-13-4-3-7-23(27)24(28)26-19-8-10-20(11-9-19)30-21-6-5-12-25-15-21/h5-6,8-12,14-15,23H,3-4,7,13,16H2,1-2H3,(H,26,28)
InChIKeyNTKWHVZYCJHCOA-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.08
Rot. Bonds6

About 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (PubChem CID 24819239) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
PubChem CID24819239
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCc1cc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)oc1C
InChIInChI=1S/C24H27N3O3/c1-17-14-22(29-18(17)2)16-27-13-4-3-7-23(27)24(28)26-19-8-10-20(11-9-19)30-21-6-5-12-25-15-21/h5-6,8-12,14-15,23H,3-4,7,13,16H2,1-2H3,(H,26,28)
InChIKeyNTKWHVZYCJHCOA-UHFFFAOYSA-N
XLogP5.08
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (CID 24819239) is 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is Cc1cc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)oc1C.
What is the InChIKey of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The InChIKey is NTKWHVZYCJHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-14-22(29-18(17)2)16-27-13-4-3-7-23(27)24(28)26-19-8-10-20(11-9-19)30-21-6-5-12-25-15-21/h5-6,8-12,14-15,23H,3-4,7,13,16H2,1-2H3,(H,26,28).
What are the key properties of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 24819239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).