5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide

C18H26N2O4 — CID 131912301

IUPAC5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)NCCN2CCCC(CO)C2)o1
InChIInChI=1S/C18H26N2O4/c1-18(2,23)8-7-15-5-6-16(24-15)17(22)19-9-11-20-10-3-4-14(12-20)13-21/h5-6,14,21,23H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyAYPRIWBOZOOFGV-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.84
Rot. Bonds5

About 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide

5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 131912301) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide
PubChem CID131912301
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide
SMILESCC(C)(O)C#Cc1ccc(C(=O)NCCN2CCCC(CO)C2)o1
InChIInChI=1S/C18H26N2O4/c1-18(2,23)8-7-15-5-6-16(24-15)17(22)19-9-11-20-10-3-4-14(12-20)13-21/h5-6,14,21,23H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyAYPRIWBOZOOFGV-UHFFFAOYSA-N
XLogP0.84
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]furan-2-carboxamide
CID 42364220
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 46996855
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-methylimidazole-2-carboxamide
CID 125161884
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 74241302
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
1-(cyclohexylmethyl)-3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 164638769
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1-benzothiophene-5-carboxamide
CID 70709796

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide (CID 131912301) is 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide is CC(C)(O)C#Cc1ccc(C(=O)NCCN2CCCC(CO)C2)o1.
What is the InChIKey of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is AYPRIWBOZOOFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,23)8-7-15-5-6-16(24-15)17(22)19-9-11-20-10-3-4-14(12-20)13-21/h5-6,14,21,23H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide?
5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-methylbut-1-ynyl)-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 131912301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).