N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

C18H37Cl2N3O3 — CID 120640871

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCC(C)(C)N2CC(C)OC(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H35N3O3.2ClH/c1-14-10-21(11-15(2)24-14)17(3,4)12-20-16(22)18(13-23-5)6-8-19-9-7-18;;/h14-15,19H,6-13H2,1-5H3,(H,20,22);2*1H
InChIKeyANUXOBPWHBMCJR-UHFFFAOYSA-N
MW414.42 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120640871) has the molecular formula C18H37Cl2N3O3 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120640871
Molecular FormulaC18H37Cl2N3O3
Molecular Weight414.42 g/mol
Exact Mass413.22
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCC(C)(C)N2CC(C)OC(C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C18H35N3O3.2ClH/c1-14-10-21(11-15(2)24-14)17(3,4)12-20-16(22)18(13-23-5)6-8-19-9-7-18;;/h14-15,19H,6-13H2,1-5H3,(H,20,22);2*1H
InChIKeyANUXOBPWHBMCJR-UHFFFAOYSA-N
XLogP1.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
(2-ethyl-6-methylmorpholin-4-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120625884
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide
CID 119839528
N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630764
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253
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-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 119863623

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (CID 120640871) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCC(C)(C)N2CC(C)OC(C)C2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is ANUXOBPWHBMCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3.2ClH/c1-14-10-21(11-15(2)24-14)17(3,4)12-20-16(22)18(13-23-5)6-8-19-9-7-18;;/h14-15,19H,6-13H2,1-5H3,(H,20,22);2*1H.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 414.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120640871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).