[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate

C20H33NO2 — CID 10734406

IUPAC[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate
SMILESCC(=O)OC1(CCCN2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H33NO2/c1-15(22)23-20(6-5-9-21-7-3-2-4-8-21)18-11-16-10-17(13-18)14-19(20)12-16/h16-19H,2-14H2,1H3
InChIKeyIOEQGHDKXNLUAG-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.01
Rot. Bonds5

About [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate

[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate (PubChem CID 10734406) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate.

Molecular Properties

Compound Name[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate
PubChem CID10734406
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate
SMILESCC(=O)OC1(CCCN2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H33NO2/c1-15(22)23-20(6-5-9-21-7-3-2-4-8-21)18-11-16-10-17(13-18)14-19(20)12-16/h16-19H,2-14H2,1H3
InChIKeyIOEQGHDKXNLUAG-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butyl-4-cyclohexylpiperidin-4-yl) acetate
CID 3048576
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
acetic acid;1-nonylpiperidine
CID 175874764
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
2-piperidin-1-ylethyl adamantane-2-carboxylate
CID 59383787
methyl 4-(azocan-1-yl)butanoate
CID 43377737
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
acetic acid;1-dodecylpyrrolidine
CID 175583827
[(1S,7R,11R)-8,11-dimethyl-3,5-dioxo-4-(3-piperidin-1-ylpropyl)-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl] acetate
CID 101408156
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
(1-bromo-11-piperidin-1-ylundecan-2-yl) acetate
CID 23295939

Frequently Asked Questions

What is the IUPAC name of [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate?
The IUPAC name of [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate (CID 10734406) is [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate.
What is the SMILES notation for [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate?
The canonical SMILES for [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate is CC(=O)OC1(CCCN2CCCCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate?
The InChIKey is IOEQGHDKXNLUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-15(22)23-20(6-5-9-21-7-3-2-4-8-21)18-11-16-10-17(13-18)14-19(20)12-16/h16-19H,2-14H2,1H3.
What are the key properties of [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate?
[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate has a molecular weight of 319.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate is sourced from PubChem (CID 10734406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).