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

C24H27N3O3 — CID 42518389

IUPAC1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)o1
InChIInChI=1S/C24H27N3O3/c1-2-20-9-10-23(29-20)17-27-14-11-18(12-15-27)24(28)26-19-5-7-21(8-6-19)30-22-4-3-13-25-16-22/h3-10,13,16,18H,2,11-12,14-15,17H2,1H3,(H,26,28)
InChIKeyKBRGFFAAYWGNJC-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.88
Rot. Bonds7

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

1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 42518389) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID42518389
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)o1
InChIInChI=1S/C24H27N3O3/c1-2-20-9-10-23(29-20)17-27-14-11-18(12-15-27)24(28)26-19-5-7-21(8-6-19)30-22-4-3-13-25-16-22/h3-10,13,16,18H,2,11-12,14-15,17H2,1H3,(H,26,28)
InChIKeyKBRGFFAAYWGNJC-UHFFFAOYSA-N
XLogP4.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 42518389) is 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is CCc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)o1.
What is the InChIKey of 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is KBRGFFAAYWGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-20-9-10-23(29-20)17-27-14-11-18(12-15-27)24(28)26-19-5-7-21(8-6-19)30-22-4-3-13-25-16-22/h3-10,13,16,18H,2,11-12,14-15,17H2,1H3,(H,26,28).
What are the key properties of 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 42518389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).