N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C15H24N2O3 — CID 111438818

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(C(C)O)CC2)c(C)o1
InChIInChI=1S/C15H24N2O3/c1-10-8-14(12(3)20-10)9-16-15(19)17-6-4-13(5-7-17)11(2)18/h8,11,13,18H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyZEXPCTIFKAEJBQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.20
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438818) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438818
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(C(C)O)CC2)c(C)o1
InChIInChI=1S/C15H24N2O3/c1-10-8-14(12(3)20-10)9-16-15(19)17-6-4-13(5-7-17)11(2)18/h8,11,13,18H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyZEXPCTIFKAEJBQ-UHFFFAOYSA-N
XLogP2.20
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(2,5-dimethylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
CID 86952444
(3R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777395
(3S)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777392
4-(1-hydroxyethyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1-carboxamide
CID 111438592
N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111508473
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111509057
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788732
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
4-(1-hydroxyethyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-1-carboxamide
CID 111437983
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438818) is N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCC(C(C)O)CC2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is ZEXPCTIFKAEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-8-14(12(3)20-10)9-16-15(19)17-6-4-13(5-7-17)11(2)18/h8,11,13,18H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).