N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C15H22N2O4 — CID 110907232

IUPACN-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCCC(CO)C2)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-10-6-13(11(2)21-10)15(20)16-7-14(19)17-5-3-4-12(8-17)9-18/h6,12,18H,3-5,7-9H2,1-2H3,(H,16,20)
InChIKeyYJAGPQKJSQQDNT-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.86
Rot. Bonds4

About N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 110907232) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID110907232
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCCC(CO)C2)c(C)o1
InChIInChI=1S/C15H22N2O4/c1-10-6-13(11(2)21-10)15(20)16-7-14(19)17-5-3-4-12(8-17)9-18/h6,12,18H,3-5,7-9H2,1-2H3,(H,16,20)
InChIKeyYJAGPQKJSQQDNT-UHFFFAOYSA-N
XLogP0.86
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55870206
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 110903001
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 86789730
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
2,4-dichloro-N-[2-[[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55655097

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 110907232) is N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2CCCC(CO)C2)c(C)o1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YJAGPQKJSQQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-6-13(11(2)21-10)15(20)16-7-14(19)17-5-3-4-12(8-17)9-18/h6,12,18H,3-5,7-9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 110907232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).