N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride

C20H32ClF3N2O2 — CID 120891376

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C23CC4CC(C2)CC(C(F)(F)F)(C4)C3)CCNCC1.Cl
InChIInChI=1S/C20H31F3N2O2.ClH/c1-27-13-17(2-4-24-5-3-17)12-25-16(26)18-7-14-6-15(8-18)10-19(9-14,11-18)20(21,22)23;/h14-15,24H,2-13H2,1H3,(H,25,26);1H
InChIKeyPYHIVECGXRZHFU-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.69
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride (PubChem CID 120891376) has the molecular formula C20H32ClF3N2O2 and a molecular weight of 424.94 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride
PubChem CID120891376
Molecular FormulaC20H32ClF3N2O2
Molecular Weight424.94 g/mol
Exact Mass424.21
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C23CC4CC(C2)CC(C(F)(F)F)(C4)C3)CCNCC1.Cl
InChIInChI=1S/C20H31F3N2O2.ClH/c1-27-13-17(2-4-24-5-3-17)12-25-16(26)18-7-14-6-15(8-18)10-19(9-14,11-18)20(21,22)23;/h14-15,24H,2-13H2,1H3,(H,25,26);1H
InChIKeyPYHIVECGXRZHFU-UHFFFAOYSA-N
XLogP3.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide;hydrochloride
CID 120890604
2-[[3-(trifluoromethyl)adamantane-1-carbonyl]amino]acetic acid
CID 119350268
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
CID 114760837
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]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120891835
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120891836

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride (CID 120891376) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride is COCC1(CNC(=O)C23CC4CC(C2)CC(C(F)(F)F)(C4)C3)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is PYHIVECGXRZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N2O2.ClH/c1-27-13-17(2-4-24-5-3-17)12-25-16(26)18-7-14-6-15(8-18)10-19(9-14,11-18)20(21,22)23;/h14-15,24H,2-13H2,1H3,(H,25,26);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride has a molecular weight of 424.94 g/mol, XLogP of 3.69, 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]-3-(trifluoromethyl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120891376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).