methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate

C15H24N2O3 — CID 43425553

IUPACmethyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCCN1CCCCC1
InChIInChI=1S/C15H24N2O3/c1-19-15(18)14-13(6-11-20-14)12-16-7-5-10-17-8-3-2-4-9-17/h6,11,16H,2-5,7-10,12H2,1H3
InChIKeyNAPMNMLHALKKJZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds7

About methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate

methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate (PubChem CID 43425553) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
PubChem CID43425553
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCCN1CCCCC1
InChIInChI=1S/C15H24N2O3/c1-19-15(18)14-13(6-11-20-14)12-16-7-5-10-17-8-3-2-4-9-17/h6,11,16H,2-5,7-10,12H2,1H3
InChIKeyNAPMNMLHALKKJZ-UHFFFAOYSA-N
XLogP2.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

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

Analyze methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate 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

methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82886497
methyl 3-[[2-(cyclopenten-1-yl)ethylamino]methyl]furan-2-carboxylate
CID 103923811
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 3-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-2-carboxylate
CID 63332859
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
CID 115904855
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate (CID 43425553) is methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNCCCN1CCCCC1.
What is the InChIKey of methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate?
The InChIKey is NAPMNMLHALKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-15(18)14-13(6-11-20-14)12-16-7-5-10-17-8-3-2-4-9-17/h6,11,16H,2-5,7-10,12H2,1H3.
What are the key properties of methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate?
methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43425553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).