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

C23H25N3O3 — CID 24817472

IUPAC1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCc1ccc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1
InChIInChI=1S/C23H25N3O3/c1-17-7-10-21(28-17)16-26-14-3-2-6-22(26)23(27)25-18-8-11-19(12-9-18)29-20-5-4-13-24-15-20/h4-5,7-13,15,22H,2-3,6,14,16H2,1H3,(H,25,27)
InChIKeyZVJDSSCBPPZESO-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.77
Rot. Bonds6

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

1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (PubChem CID 24817472) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
PubChem CID24817472
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCc1ccc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1
InChIInChI=1S/C23H25N3O3/c1-17-7-10-21(28-17)16-26-14-3-2-6-22(26)23(27)25-18-8-11-19(12-9-18)29-20-5-4-13-24-15-20/h4-5,7-13,15,22H,2-3,6,14,16H2,1H3,(H,25,27)
InChIKeyZVJDSSCBPPZESO-UHFFFAOYSA-N
XLogP4.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (CID 24817472) is 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is Cc1ccc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The InChIKey is ZVJDSSCBPPZESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-7-10-21(28-17)16-26-14-3-2-6-22(26)23(27)25-18-8-11-19(12-9-18)29-20-5-4-13-24-15-20/h4-5,7-13,15,22H,2-3,6,14,16H2,1H3,(H,25,27).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 24817472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).