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

C20H27N3O2 — CID 39112783

IUPAC3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC1CCN(c2ccc(CCC(=O)NCc3ccco3)cc2N)CC1
InChIInChI=1S/C20H27N3O2/c1-15-8-10-23(11-9-15)19-6-4-16(13-18(19)21)5-7-20(24)22-14-17-3-2-12-25-17/h2-4,6,12-13,15H,5,7-11,14,21H2,1H3,(H,22,24)
InChIKeyFMZIBRYRAMKLNL-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.35
Rot. Bonds6

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

3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 39112783) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID39112783
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC1CCN(c2ccc(CCC(=O)NCc3ccco3)cc2N)CC1
InChIInChI=1S/C20H27N3O2/c1-15-8-10-23(11-9-15)19-6-4-16(13-18(19)21)5-7-20(24)22-14-17-3-2-12-25-17/h2-4,6,12-13,15H,5,7-11,14,21H2,1H3,(H,22,24)
InChIKeyFMZIBRYRAMKLNL-UHFFFAOYSA-N
XLogP3.35
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 24504883
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113132124
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
3-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 55512609
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172035
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide (CID 39112783) is 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide is CC1CCN(c2ccc(CCC(=O)NCc3ccco3)cc2N)CC1.
What is the InChIKey of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is FMZIBRYRAMKLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-8-10-23(11-9-15)19-6-4-16(13-18(19)21)5-7-20(24)22-14-17-3-2-12-25-17/h2-4,6,12-13,15H,5,7-11,14,21H2,1H3,(H,22,24).
What are the key properties of 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide?
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 39112783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).