N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide

C13H20N2O2 — CID 116654269

IUPACN-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)Cc2ccco2)C1
InChIInChI=1S/C13H20N2O2/c1-11-5-3-7-15(9-11)13(16)14(2)10-12-6-4-8-17-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3
InChIKeyPLSIHPYZYXCCIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.56
Rot. Bonds2

About N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide

N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide (PubChem CID 116654269) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
PubChem CID116654269
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)Cc2ccco2)C1
InChIInChI=1S/C13H20N2O2/c1-11-5-3-7-15(9-11)13(16)14(2)10-12-6-4-8-17-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3
InChIKeyPLSIHPYZYXCCIH-UHFFFAOYSA-N
XLogP2.56
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
CID 79160058
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
N'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
1-[furan-2-ylmethyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983695
N-(furan-2-ylmethyl)-2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 111143803
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159196
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
CID 116656098
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide (CID 116654269) is N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide is CC1CCCN(C(=O)N(C)Cc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide?
The InChIKey is PLSIHPYZYXCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-5-3-7-15(9-11)13(16)14(2)10-12-6-4-8-17-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide?
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 116654269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).