4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride

C12H22ClF3N2O2 — CID 120632253

IUPAC4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCCC(F)(F)F)CCNCC1.Cl
InChIInChI=1S/C12H21F3N2O2.ClH/c1-19-9-11(4-7-16-8-5-11)10(18)17-6-2-3-12(13,14)15;/h16H,2-9H2,1H3,(H,17,18);1H
InChIKeyMOJJUJBMOWYRMX-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.88
Rot. Bonds6

About 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120632253) has the molecular formula C12H22ClF3N2O2 and a molecular weight of 318.77 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120632253
Molecular FormulaC12H22ClF3N2O2
Molecular Weight318.77 g/mol
Exact Mass318.13
IUPAC Name4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCCC(F)(F)F)CCNCC1.Cl
InChIInChI=1S/C12H21F3N2O2.ClH/c1-19-9-11(4-7-16-8-5-11)10(18)17-6-2-3-12(13,14)15;/h16H,2-9H2,1H3,(H,17,18);1H
InChIKeyMOJJUJBMOWYRMX-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
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-[2-(1-adamantyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617106
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642892
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride (CID 120632253) is 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCCC(F)(F)F)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MOJJUJBMOWYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2.ClH/c1-19-9-11(4-7-16-8-5-11)10(18)17-6-2-3-12(13,14)15;/h16H,2-9H2,1H3,(H,17,18);1H.
What are the key properties of 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 318.77 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).