2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide

C18H31N3O2 — CID 131925611

IUPAC2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide
SMILESCCN1CCN(CC(=O)NC23CC4CC(CC(O)(C4)C2)C3)CC1
InChIInChI=1S/C18H31N3O2/c1-2-20-3-5-21(6-4-20)12-16(22)19-17-8-14-7-15(9-17)11-18(23,10-14)13-17/h14-15,23H,2-13H2,1H3,(H,19,22)
InChIKeyZAKVIPZTYSCSBV-UHFFFAOYSA-N
MW321.47 g/mol
LogP0.82
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide

2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 131925611) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide
PubChem CID131925611
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide
SMILESCCN1CCN(CC(=O)NC23CC4CC(CC(O)(C4)C2)C3)CC1
InChIInChI=1S/C18H31N3O2/c1-2-20-3-5-21(6-4-20)12-16(22)19-17-8-14-7-15(9-17)11-18(23,10-14)13-17/h14-15,23H,2-13H2,1H3,(H,19,22)
InChIKeyZAKVIPZTYSCSBV-UHFFFAOYSA-N
XLogP0.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Vildagliptinboronic acid
CID 53486200
1-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(3-hydroxy-1-adamantyl)amino]ethanone
CID 44433969
(1R,2S,5S)-3-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]-3-azabicyclo[3.1.0]hexane-2-carbonitrile
CID 175969798
(2S,5S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]-5-methylpyrrolidine-2-carbonitrile
CID 10335983
1-(1-Acetylpiperidin-4-yl)-3-(3-hydroxy-1-adamantyl)urea
CID 57898575
2-[(3-Hydroxy-1-adamantyl)-methylamino]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 58364483
2-[(3-hydroxy-1-adamantyl)amino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 59760311
2-[(3-Hydroxy-1-adamantyl)amino]-1-pyrrolidin-1-ylethanone
CID 66885569
1-[2-[(3-Hydroxy-1-adamantyl)amino]acetyl]-2-methylpyrrolidine-2-carbonitrile
CID 68253624
(2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]-3-methylpyrrolidine-2-carbonitrile
CID 69153136
1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]-5-methylpyrrolidine-2-carbonitrile
CID 69702874
[1-[2-[(3-Hydroxy-1-adamantyl)amino]acetyl]pyrrolidin-1-ium-1-yl]boronic acid
CID 90450552

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide (CID 131925611) is 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide is CCN1CCN(CC(=O)NC23CC4CC(CC(O)(C4)C2)C3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is ZAKVIPZTYSCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-2-20-3-5-21(6-4-20)12-16(22)19-17-8-14-7-15(9-17)11-18(23,10-14)13-17/h14-15,23H,2-13H2,1H3,(H,19,22).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide?
2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 321.47 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 131925611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).