1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C26H25N3O3 — CID 45177219

IUPAC1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C26H25N3O3/c30-26(28-21-7-9-22(10-8-21)31-23-5-3-13-27-17-23)19-11-14-29(15-12-19)18-24-16-20-4-1-2-6-25(20)32-24/h1-10,13,16-17,19H,11-12,14-15,18H2,(H,28,30)
InChIKeyJZFWRHSZOGUMKS-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.47
Rot. Bonds6

About 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 45177219) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID45177219
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C26H25N3O3/c30-26(28-21-7-9-22(10-8-21)31-23-5-3-13-27-17-23)19-11-14-29(15-12-19)18-24-16-20-4-1-2-6-25(20)32-24/h1-10,13,16-17,19H,11-12,14-15,18H2,(H,28,30)
InChIKeyJZFWRHSZOGUMKS-UHFFFAOYSA-N
XLogP5.47
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 45177219) is 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is JZFWRHSZOGUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-26(28-21-7-9-22(10-8-21)31-23-5-3-13-27-17-23)19-11-14-29(15-12-19)18-24-16-20-4-1-2-6-25(20)32-24/h1-10,13,16-17,19H,11-12,14-15,18H2,(H,28,30).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45177219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).