N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide

C18H30N2O — CID 81098696

IUPACN-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-20(11-12-2-4-19-5-3-12)18(21)17-15-7-13-6-14(9-15)10-16(17)8-13/h12-17,19H,2-11H2,1H3
InChIKeyGMMAINITWUBKCC-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide

N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide (PubChem CID 81098696) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
PubChem CID81098696
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-20(11-12-2-4-19-5-3-12)18(21)17-15-7-13-6-14(9-15)10-16(17)8-13/h12-17,19H,2-11H2,1H3
InChIKeyGMMAINITWUBKCC-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-piperidin-4-yladamantane-2-carboxamide;hydrochloride
CID 119443349
N,2,4,5-tetramethyl-N-(piperidin-4-ylmethyl)oxolane-3-carboxamide
CID 79720744
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-methyl-N-pyrrolidin-3-yladamantane-2-carboxamide;hydrochloride
CID 119553032
N-methyl-N-(piperidin-4-ylmethyl)-1,4-dioxane-2-carboxamide
CID 79721400
4-[adamantane-2-carbonyl(methyl)amino]butanoic acid
CID 78980362
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426
2,2-difluoro-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 103514236
2,2-dicyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 112745071
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79720456
N-methyl-6-oxo-N-(piperidin-4-ylmethyl)piperidine-3-carboxamide
CID 83192838
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide (CID 81098696) is N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide is CN(CC1CCNCC1)C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide?
The InChIKey is GMMAINITWUBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-20(11-12-2-4-19-5-3-12)18(21)17-15-7-13-6-14(9-15)10-16(17)8-13/h12-17,19H,2-11H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide?
N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)adamantane-2-carboxamide is sourced from PubChem (CID 81098696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).