3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C21H28N2O2 — CID 46470241

IUPAC3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1
InChIInChI=1S/C21H28N2O2/c1-17-4-2-12-23(15-17)16-19-8-6-18(7-9-19)14-22-21(24)11-10-20-5-3-13-25-20/h3,5-9,13,17H,2,4,10-12,14-16H2,1H3,(H,22,24)
InChIKeyOLRSLUUAIXHUPW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds7

About 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 46470241) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID46470241
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1
InChIInChI=1S/C21H28N2O2/c1-17-4-2-12-23(15-17)16-19-8-6-18(7-9-19)14-22-21(24)11-10-20-5-3-13-25-20/h3,5-9,13,17H,2,4,10-12,14-16H2,1H3,(H,22,24)
InChIKeyOLRSLUUAIXHUPW-UHFFFAOYSA-N
XLogP3.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 75879898
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 55839998
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366
1-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 71865034
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556582
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018008
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
CID 78876241

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 46470241) is 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC1CCCN(Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1.
What is the InChIKey of 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is OLRSLUUAIXHUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17-4-2-12-23(15-17)16-19-8-6-18(7-9-19)14-22-21(24)11-10-20-5-3-13-25-20/h3,5-9,13,17H,2,4,10-12,14-16H2,1H3,(H,22,24).
What are the key properties of 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46470241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).