4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120617692

IUPAC4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCOc2ccccc2)CCNCC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-13-16(7-9-17-10-8-16)15(19)18-11-12-21-14-5-3-2-4-6-14;/h2-6,17H,7-13H2,1H3,(H,18,19);1H
InChIKeyXHUPSNJESSTGON-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.62
Rot. Bonds7

About 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120617692) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120617692
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCOc2ccccc2)CCNCC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-13-16(7-9-17-10-8-16)15(19)18-11-12-21-14-5-3-2-4-6-14;/h2-6,17H,7-13H2,1H3,(H,18,19);1H
InChIKeyXHUPSNJESSTGON-UHFFFAOYSA-N
XLogP1.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
N-(2-phenoxyethyl)-4-propylpiperidine-4-carboxamide
CID 63129005
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
4-(methoxymethyl)-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626270
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
CID 120632708
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride (CID 120617692) is 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCOc2ccccc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XHUPSNJESSTGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-20-13-16(7-9-17-10-8-16)15(19)18-11-12-21-14-5-3-2-4-6-14;/h2-6,17H,7-13H2,1H3,(H,18,19);1H.
What are the key properties of 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).