2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide

C16H26N2O2 — CID 104596462

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCc1ccc(CN(C(=O)C2(C)CCCCN2)C(C)C)o1
InChIInChI=1S/C16H26N2O2/c1-12(2)18(11-14-8-7-13(3)20-14)15(19)16(4)9-5-6-10-17-16/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyRVBZWADAARAOBJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide

2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide (PubChem CID 104596462) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
PubChem CID104596462
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide
SMILESCc1ccc(CN(C(=O)C2(C)CCCCN2)C(C)C)o1
InChIInChI=1S/C16H26N2O2/c1-12(2)18(11-14-8-7-13(3)20-14)15(19)16(4)9-5-6-10-17-16/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyRVBZWADAARAOBJ-UHFFFAOYSA-N
XLogP2.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974664
1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 115435030
3-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yloxolane-3-carboxamide
CID 64890963
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
CID 61068434
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 55856105
N-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981748
2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpiperidine-2-carboxamide
CID 104596433
2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 107074573

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide (CID 104596462) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide is Cc1ccc(CN(C(=O)C2(C)CCCCN2)C(C)C)o1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is RVBZWADAARAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18(11-14-8-7-13(3)20-14)15(19)16(4)9-5-6-10-17-16/h7-8,12,17H,5-6,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide?
2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 104596462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).