methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate

C15H24N2O3 — CID 104586644

IUPACmethyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
SMILESCCCN1CCC(NCc2cc(C(=O)OC)co2)CC1
InChIInChI=1S/C15H24N2O3/c1-3-6-17-7-4-13(5-8-17)16-10-14-9-12(11-20-14)15(18)19-2/h9,11,13,16H,3-8,10H2,1-2H3
InChIKeySGASTKFHIAGCPZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds6

About methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate

methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate (PubChem CID 104586644) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
PubChem CID104586644
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
SMILESCCCN1CCC(NCc2cc(C(=O)OC)co2)CC1
InChIInChI=1S/C15H24N2O3/c1-3-6-17-7-4-13(5-8-17)16-10-14-9-12(11-20-14)15(18)19-2/h9,11,13,16H,3-8,10H2,1-2H3
InChIKeySGASTKFHIAGCPZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]furan-3-carboxylate
CID 104585884
methyl 5-[[(3-methylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586483
methyl 5-[[(3,5-dimethylcyclohexyl)amino]methyl]furan-3-carboxylate
CID 104586345
methyl 5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]furan-3-carboxylate
CID 104585934
methyl 5-ethylfuran-3-carboxylate
CID 23661323
methyl 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylate
CID 104585751
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586463
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
5-[[(1,1-dioxothian-4-yl)amino]methyl]furan-3-carboxylic acid
CID 104608237
methyl 5-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]furan-3-carboxylate
CID 104585759

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate (CID 104586644) is methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate is CCCN1CCC(NCc2cc(C(=O)OC)co2)CC1.
What is the InChIKey of methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is SGASTKFHIAGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-6-17-7-4-13(5-8-17)16-10-14-9-12(11-20-14)15(18)19-2/h9,11,13,16H,3-8,10H2,1-2H3.
What are the key properties of methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate?
methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 104586644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).