2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide

C22H30N2O2 — CID 46477048

IUPAC2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2ccccc2CN2CCC(C)CC2)c1C
InChIInChI=1S/C22H30N2O2/c1-15-9-11-24(12-10-15)14-20-8-6-5-7-19(20)13-23-22(25)21-16(2)17(3)26-18(21)4/h5-8,15H,9-14H2,1-4H3,(H,23,25)
InChIKeyHHQTUEMPQVYEAB-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.37
Rot. Bonds5

About 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide

2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide (PubChem CID 46477048) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
PubChem CID46477048
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2ccccc2CN2CCC(C)CC2)c1C
InChIInChI=1S/C22H30N2O2/c1-15-9-11-24(12-10-15)14-20-8-6-5-7-19(20)13-23-22(25)21-16(2)17(3)26-18(21)4/h5-8,15H,9-14H2,1-4H3,(H,23,25)
InChIKeyHHQTUEMPQVYEAB-UHFFFAOYSA-N
XLogP4.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60513495
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55710554
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55710464

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide (CID 46477048) is 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide is Cc1oc(C)c(C(=O)NCc2ccccc2CN2CCC(C)CC2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
The InChIKey is HHQTUEMPQVYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15-9-11-24(12-10-15)14-20-8-6-5-7-19(20)13-23-22(25)21-16(2)17(3)26-18(21)4/h5-8,15H,9-14H2,1-4H3,(H,23,25).
What are the key properties of 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide?
2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 46477048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).