N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide

C16H24N2O2 — CID 131937285

IUPACN-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESCC(C)=CCN1CCCC(CNC(=O)c2ccoc2)C1
InChIInChI=1S/C16H24N2O2/c1-13(2)5-8-18-7-3-4-14(11-18)10-17-16(19)15-6-9-20-12-15/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyOUOPFMCGHIVEMN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds5

About N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide

N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 131937285) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
PubChem CID131937285
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESCC(C)=CCN1CCCC(CNC(=O)c2ccoc2)C1
InChIInChI=1S/C16H24N2O2/c1-13(2)5-8-18-7-3-4-14(11-18)10-17-16(19)15-6-9-20-12-15/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyOUOPFMCGHIVEMN-UHFFFAOYSA-N
XLogP2.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]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

formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 154912021
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
CID 131939771
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131912720
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 95191546
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131899772
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
CID 131921279
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 24532506
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
CID 131900099
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide (CID 131937285) is N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide is CC(C)=CCN1CCCC(CNC(=O)c2ccoc2)C1.
What is the InChIKey of N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is OUOPFMCGHIVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)5-8-18-7-3-4-14(11-18)10-17-16(19)15-6-9-20-12-15/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide?
N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131937285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).