2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide

C13H21N3O2 — CID 63001894

IUPAC2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C13H21N3O2/c1-14-13(17)9-16-5-2-12(3-6-16)15-8-11-4-7-18-10-11/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyHLQYCYMVEXEBDC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds5

About 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 63001894) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID63001894
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccoc2)CC1
InChIInChI=1S/C13H21N3O2/c1-14-13(17)9-16-5-2-12(3-6-16)15-8-11-4-7-18-10-11/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyHLQYCYMVEXEBDC-UHFFFAOYSA-N
XLogP0.58
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 115675555
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]acetonitrile;hydrochloride
CID 115617505
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide (CID 63001894) is 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2ccoc2)CC1.
What is the InChIKey of 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is HLQYCYMVEXEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14-13(17)9-16-5-2-12(3-6-16)15-8-11-4-7-18-10-11/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3,(H,14,17).
What are the key properties of 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 63001894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).