N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide

C21H28N2O3 — CID 24816837

IUPACN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
SMILESCOc1ccccc1CCN1CCCC(CN(C)C(=O)c2ccoc2)C1
InChIInChI=1S/C21H28N2O3/c1-22(21(24)19-10-13-26-16-19)14-17-6-5-11-23(15-17)12-9-18-7-3-4-8-20(18)25-2/h3-4,7-8,10,13,16-17H,5-6,9,11-12,14-15H2,1-2H3
InChIKeyKQVPWOQPVBBECS-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.31
Rot. Bonds7

About N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide

N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide (PubChem CID 24816837) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
PubChem CID24816837
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
SMILESCOc1ccccc1CCN1CCCC(CN(C)C(=O)c2ccoc2)C1
InChIInChI=1S/C21H28N2O3/c1-22(21(24)19-10-13-26-16-19)14-17-6-5-11-23(15-17)12-9-18-7-3-4-8-20(18)25-2/h3-4,7-8,10,13,16-17H,5-6,9,11-12,14-15H2,1-2H3
InChIKeyKQVPWOQPVBBECS-UHFFFAOYSA-N
XLogP3.31
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide (CID 24816837) is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide is COc1ccccc1CCN1CCCC(CN(C)C(=O)c2ccoc2)C1.
What is the InChIKey of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide?
The InChIKey is KQVPWOQPVBBECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-22(21(24)19-10-13-26-16-19)14-17-6-5-11-23(15-17)12-9-18-7-3-4-8-20(18)25-2/h3-4,7-8,10,13,16-17H,5-6,9,11-12,14-15H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide?
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 24816837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).