N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide

C15H26N2O2 — CID 81116179

IUPACN-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CCC(C)(O)CC1
InChIInChI=1S/C15H26N2O2/c1-5-15(6-2,7-3)16-13(18)12-17-10-8-14(4,19)9-11-17/h1,19H,6-12H2,2-4H3,(H,16,18)
InChIKeyPAZYCQOLOWHZBJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.14
Rot. Bonds5

About N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide

N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide (PubChem CID 81116179) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
PubChem CID81116179
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1CCC(C)(O)CC1
InChIInChI=1S/C15H26N2O2/c1-5-15(6-2,7-3)16-13(18)12-17-10-8-14(4,19)9-11-17/h1,19H,6-12H2,2-4H3,(H,16,18)
InChIKeyPAZYCQOLOWHZBJ-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 63595882
2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 65249512
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407960
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 81460905
N-(3-ethylpent-1-yn-3-yl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267637
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 114398610
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 8872417
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 80703621
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 17413640
N-(3-ethylpent-1-yn-3-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936046
1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785252

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide (CID 81116179) is N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide is C#CC(CC)(CC)NC(=O)CN1CCC(C)(O)CC1.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide?
The InChIKey is PAZYCQOLOWHZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-15(6-2,7-3)16-13(18)12-17-10-8-14(4,19)9-11-17/h1,19H,6-12H2,2-4H3,(H,16,18).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide?
N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide has a molecular weight of 266.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 81116179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).