N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide

C13H20N2O3 — CID 120887911

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCOCC1(CNC(=O)c2ccoc2)CCNCC1
InChIInChI=1S/C13H20N2O3/c1-17-10-13(3-5-14-6-4-13)9-15-12(16)11-2-7-18-8-11/h2,7-8,14H,3-6,9-10H2,1H3,(H,15,16)
InChIKeyPMFMDAUSFYBSFW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.03
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 120887911) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID120887911
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCOCC1(CNC(=O)c2ccoc2)CCNCC1
InChIInChI=1S/C13H20N2O3/c1-17-10-13(3-5-14-6-4-13)9-15-12(16)11-2-7-18-8-11/h2,7-8,14H,3-6,9-10H2,1H3,(H,15,16)
InChIKeyPMFMDAUSFYBSFW-UHFFFAOYSA-N
XLogP1.03
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 120890389
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
4-(acetamidomethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120888912
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
4-(dimethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887645
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 120887911) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide is COCC1(CNC(=O)c2ccoc2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is PMFMDAUSFYBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-10-13(3-5-14-6-4-13)9-15-12(16)11-2-7-18-8-11/h2,7-8,14H,3-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 120887911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).