1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C13H20N2O2 — CID 70985799

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-12(17-10)9-14-13(16)11-5-7-15(2)8-6-11/h3-4,11H,5-9H2,1-2H3,(H,14,16)
InChIKeyVSHHAPRSVBFPPV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds3

About 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 70985799) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID70985799
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-12(17-10)9-14-13(16)11-5-7-15(2)8-6-11/h3-4,11H,5-9H2,1-2H3,(H,14,16)
InChIKeyVSHHAPRSVBFPPV-UHFFFAOYSA-N
XLogP1.55
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(dimethylamino)pyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46297913
(3S)-N-[(5-methylfuran-2-yl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 97113305
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53034149
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95086085
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-(6-benzylsulfanylpyridazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768356
1-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 53027301
2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 91837266
1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50843175
N-[(5-methylfuran-2-yl)methyl]-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide
CID 53037374

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 70985799) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C)CC2)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VSHHAPRSVBFPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-4-12(17-10)9-14-13(16)11-5-7-15(2)8-6-11/h3-4,11H,5-9H2,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 70985799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).