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

C18H30N2O — CID 106995576

IUPAC2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CCN1
InChIInChI=1S/C18H30N2O/c1-12-4-16(2-3-19-12)20-17(21)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyMETYOXGGDPPQSJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.85
Rot. Bonds3

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

2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 106995576) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID106995576
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CCN1
InChIInChI=1S/C18H30N2O/c1-12-4-16(2-3-19-12)20-17(21)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyMETYOXGGDPPQSJ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601315
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601314
N-(2-methylpiperidin-4-yl)-2-(thian-4-yl)acetamide
CID 106995402
2-cyclobutyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120599149
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
3-(dimethylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995184
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
CID 120598747
2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 108559995
2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
2,2-dimethyl-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599635

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide (CID 106995576) is 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide is CC1CC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CCN1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is METYOXGGDPPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12-4-16(2-3-19-12)20-17(21)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h12-16,19H,2-11H2,1H3,(H,20,21).
What are the key properties of 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide?
2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 290.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 106995576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).