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

C26H30N2O2 — CID 164851909

IUPACN-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O2/c1-21-9-11-23(12-10-21)20-28(26(29)25-8-5-19-30-25)24-14-17-27(18-15-24)16-13-22-6-3-2-4-7-22/h2-12,19,24H,13-18,20H2,1H3
InChIKeySERJLTWDEISIDN-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.94
Rot. Bonds7

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

N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851909) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851909
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O2/c1-21-9-11-23(12-10-21)20-28(26(29)25-8-5-19-30-25)24-14-17-27(18-15-24)16-13-22-6-3-2-4-7-22/h2-12,19,24H,13-18,20H2,1H3
InChIKeySERJLTWDEISIDN-UHFFFAOYSA-N
XLogP4.94
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851909) is N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is Cc1ccc(CN(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is SERJLTWDEISIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-21-9-11-23(12-10-21)20-28(26(29)25-8-5-19-30-25)24-14-17-27(18-15-24)16-13-22-6-3-2-4-7-22/h2-12,19,24H,13-18,20H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).