N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C26H30N2O3 — CID 164851897

IUPACN-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O3/c1-30-24-11-9-22(10-12-24)20-28(26(29)25-8-5-19-31-25)23-14-17-27(18-15-23)16-13-21-6-3-2-4-7-21/h2-12,19,23H,13-18,20H2,1H3
InChIKeyCBBQILLVJFEDGF-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.64
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851897) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851897
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O3/c1-30-24-11-9-22(10-12-24)20-28(26(29)25-8-5-19-31-25)23-14-17-27(18-15-23)16-13-21-6-3-2-4-7-21/h2-12,19,23H,13-18,20H2,1H3
InChIKeyCBBQILLVJFEDGF-UHFFFAOYSA-N
XLogP4.64
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851897) is N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is COc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is CBBQILLVJFEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-30-24-11-9-22(10-12-24)20-28(26(29)25-8-5-19-31-25)23-14-17-27(18-15-23)16-13-21-6-3-2-4-7-21/h2-12,19,23H,13-18,20H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).