1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

C24H27N3O4 — CID 24791668

IUPAC1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESCOCc1ccc(CN2CCCCC2C(=O)Nc2ccc(Oc3ccccc3)nc2)o1
InChIInChI=1S/C24H27N3O4/c1-29-17-21-12-11-20(30-21)16-27-14-6-5-9-22(27)24(28)26-18-10-13-23(25-15-18)31-19-7-3-2-4-8-19/h2-4,7-8,10-13,15,22H,5-6,9,14,16-17H2,1H3,(H,26,28)
InChIKeyUCTIILDNKLCBFG-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.61
Rot. Bonds8

About 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 24791668) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
PubChem CID24791668
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESCOCc1ccc(CN2CCCCC2C(=O)Nc2ccc(Oc3ccccc3)nc2)o1
InChIInChI=1S/C24H27N3O4/c1-29-17-21-12-11-20(30-21)16-27-14-6-5-9-22(27)24(28)26-18-10-13-23(25-15-18)31-19-7-3-2-4-8-19/h2-4,7-8,10-13,15,22H,5-6,9,14,16-17H2,1H3,(H,26,28)
InChIKeyUCTIILDNKLCBFG-UHFFFAOYSA-N
XLogP4.61
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (CID 24791668) is 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is COCc1ccc(CN2CCCCC2C(=O)Nc2ccc(Oc3ccccc3)nc2)o1.
What is the InChIKey of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is UCTIILDNKLCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-17-21-12-11-20(30-21)16-27-14-6-5-9-22(27)24(28)26-18-10-13-23(25-15-18)31-19-7-3-2-4-8-19/h2-4,7-8,10-13,15,22H,5-6,9,14,16-17H2,1H3,(H,26,28).
What are the key properties of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 24791668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).