N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide

C15H24N2O4 — CID 111434009

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCN2CCC(O)CC2)o1
InChIInChI=1S/C15H24N2O4/c1-20-11-13-3-4-14(21-13)15(19)16-7-2-8-17-9-5-12(18)6-10-17/h3-4,12,18H,2,5-11H2,1H3,(H,16,19)
InChIKeyXLTIQLNIIWWXDX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.00
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 111434009) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID111434009
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCCCN2CCC(O)CC2)o1
InChIInChI=1S/C15H24N2O4/c1-20-11-13-3-4-14(21-13)15(19)16-7-2-8-17-9-5-12(18)6-10-17/h3-4,12,18H,2,5-11H2,1H3,(H,16,19)
InChIKeyXLTIQLNIIWWXDX-UHFFFAOYSA-N
XLogP1.00
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-N-(1-propylpiperidin-4-yl)furan-2-carboxamide
CID 78827546
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
CID 78847305
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide (CID 111434009) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NCCCN2CCC(O)CC2)o1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is XLTIQLNIIWWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-20-11-13-3-4-14(21-13)15(19)16-7-2-8-17-9-5-12(18)6-10-17/h3-4,12,18H,2,5-11H2,1H3,(H,16,19).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 111434009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).