N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride

C19H33ClN2O2 — CID 120890604

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCNCC1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-23-13-18(2-4-20-5-3-18)12-21-17(22)19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-16,20H,2-13H2,1H3,(H,21,22);1H
InChIKeyFBDFNABTKAEWCD-UHFFFAOYSA-N
MW356.94 g/mol
LogP2.76
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride (PubChem CID 120890604) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
PubChem CID120890604
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCNCC1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-23-13-18(2-4-20-5-3-18)12-21-17(22)19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-16,20H,2-13H2,1H3,(H,21,22);1H
InChIKeyFBDFNABTKAEWCD-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride
CID 120891376
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 120889892
N-[[1-(methoxymethyl)cyclobutyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154909189
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide;hydrochloride
CID 120888032
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 120888033
N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide
CID 110642345
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
CID 114760837

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride (CID 120890604) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride is COCC1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride?
The InChIKey is FBDFNABTKAEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-23-13-18(2-4-20-5-3-18)12-21-17(22)19-9-14-6-15(10-19)8-16(7-14)11-19;/h14-16,20H,2-13H2,1H3,(H,21,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120890604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).