N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C20H35ClN2O2 — CID 120617106

IUPACN-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CCNCC1.Cl
InChIInChI=1S/C20H34N2O2.ClH/c1-24-14-20(3-5-21-6-4-20)18(23)22-7-2-19-11-15-8-16(12-19)10-17(9-15)13-19;/h15-17,21H,2-14H2,1H3,(H,22,23);1H
InChIKeyXTSQWADYEQAZNJ-UHFFFAOYSA-N
MW370.97 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120617106) has the molecular formula C20H35ClN2O2 and a molecular weight of 370.97 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120617106
Molecular FormulaC20H35ClN2O2
Molecular Weight370.97 g/mol
Exact Mass370.24
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CCNCC1.Cl
InChIInChI=1S/C20H34N2O2.ClH/c1-24-14-20(3-5-21-6-4-20)18(23)22-7-2-19-11-15-8-16(12-19)10-17(9-15)13-19;/h15-17,21H,2-14H2,1H3,(H,22,23);1H
InChIKeyXTSQWADYEQAZNJ-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.97
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642892
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
CID 120890604
methyl 2-[2-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetate
CID 120631431
N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120617106) is N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CCNCC1.Cl.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XTSQWADYEQAZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2.ClH/c1-24-14-20(3-5-21-6-4-20)18(23)22-7-2-19-11-15-8-16(12-19)10-17(9-15)13-19;/h15-17,21H,2-14H2,1H3,(H,22,23);1H.
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 370.97 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).