N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide

C21H28N2O3 — CID 662167

IUPACN-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccco2)C2CC(C)N(C)CC2C)cc1
InChIInChI=1S/C21H28N2O3/c1-15-13-22(3)16(2)12-19(15)23(21(24)20-6-5-11-26-20)14-17-7-9-18(25-4)10-8-17/h5-11,15-16,19H,12-14H2,1-4H3
InChIKeySUTXCIMFRCHMFF-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.66
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide

N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 662167) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide
PubChem CID662167
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide
SMILESCOc1ccc(CN(C(=O)c2ccco2)C2CC(C)N(C)CC2C)cc1
InChIInChI=1S/C21H28N2O3/c1-15-13-22(3)16(2)12-19(15)23(21(24)20-6-5-11-26-20)14-17-7-9-18(25-4)10-8-17/h5-11,15-16,19H,12-14H2,1-4H3
InChIKeySUTXCIMFRCHMFF-UHFFFAOYSA-N
XLogP3.66
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.66
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-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide (CID 662167) is N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide is COc1ccc(CN(C(=O)c2ccco2)C2CC(C)N(C)CC2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is SUTXCIMFRCHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-13-22(3)16(2)12-19(15)23(21(24)20-6-5-11-26-20)14-17-7-9-18(25-4)10-8-17/h5-11,15-16,19H,12-14H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-N-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.66, 5 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-(1,2,5-trimethylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 662167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).