1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide

C26H30N2O2 — CID 46069465

IUPAC1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CC(C(=O)N(C)Cc3ccco3)CN(Cc3ccccc3)C2)c1
InChIInChI=1S/C26H30N2O2/c1-20-8-6-11-22(14-20)23-15-24(26(29)27(2)19-25-12-7-13-30-25)18-28(17-23)16-21-9-4-3-5-10-21/h3-14,23-24H,15-19H2,1-2H3
InChIKeyJXVDYIUTUARZIA-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.85
Rot. Bonds6

About 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide

1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 46069465) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID46069465
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CC(C(=O)N(C)Cc3ccco3)CN(Cc3ccccc3)C2)c1
InChIInChI=1S/C26H30N2O2/c1-20-8-6-11-22(14-20)23-15-24(26(29)27(2)19-25-12-7-13-30-25)18-28(17-23)16-21-9-4-3-5-10-21/h3-14,23-24H,15-19H2,1-2H3
InChIKeyJXVDYIUTUARZIA-UHFFFAOYSA-N
XLogP4.85
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide (CID 46069465) is 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide is Cc1cccc(C2CC(C(=O)N(C)Cc3ccco3)CN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is JXVDYIUTUARZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-20-8-6-11-22(14-20)23-15-24(26(29)27(2)19-25-12-7-13-30-25)18-28(17-23)16-21-9-4-3-5-10-21/h3-14,23-24H,15-19H2,1-2H3.
What are the key properties of 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide?
1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).