N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C18H31N2O+ — CID 8543808

IUPACN-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O/c1-13-2-4-20(5-3-13)12-17(21)19-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)/p+1
InChIKeyFCQFPGZWDYFOPR-UHFFFAOYSA-O
MW291.46 g/mol
LogP1.39
Rot. Bonds3

About N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 8543808) has the molecular formula C18H31N2O+ and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID8543808
Molecular FormulaC18H31N2O+
Molecular Weight291.46 g/mol
Exact Mass291.24
IUPAC NameN-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C18H30N2O/c1-13-2-4-20(5-3-13)12-17(21)19-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)/p+1
InChIKeyFCQFPGZWDYFOPR-UHFFFAOYSA-O
XLogP1.39
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 8543808) is N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is FCQFPGZWDYFOPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N2O/c1-13-2-4-20(5-3-13)12-17(21)19-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)/p+1.
What are the key properties of N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 291.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8543808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).