4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride

C20H33ClN2O4 — CID 120637377

IUPAC4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCCOc1cc(C)ccc1CNC(=O)C1(COC)CCNCC1.Cl
InChIInChI=1S/C20H32N2O4.ClH/c1-16-5-6-17(18(13-16)26-12-4-11-24-2)14-22-19(23)20(15-25-3)7-9-21-10-8-20;/h5-6,13,21H,4,7-12,14-15H2,1-3H3,(H,22,23);1H
InChIKeyYTRKCQUBSQXZQD-UHFFFAOYSA-N
MW400.95 g/mol
LogP2.46
Rot. Bonds10

About 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120637377) has the molecular formula C20H33ClN2O4 and a molecular weight of 400.95 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120637377
Molecular FormulaC20H33ClN2O4
Molecular Weight400.95 g/mol
Exact Mass400.21
IUPAC Name4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCCOc1cc(C)ccc1CNC(=O)C1(COC)CCNCC1.Cl
InChIInChI=1S/C20H32N2O4.ClH/c1-16-5-6-17(18(13-16)26-12-4-11-24-2)14-22-19(23)20(15-25-3)7-9-21-10-8-20;/h5-6,13,21H,4,7-12,14-15H2,1-3H3,(H,22,23);1H
InChIKeyYTRKCQUBSQXZQD-UHFFFAOYSA-N
XLogP2.46
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
4-(methoxymethyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120624410
2-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methylpentanamide
CID 119811650
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 120623331

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120637377) is 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride is COCCCOc1cc(C)ccc1CNC(=O)C1(COC)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is YTRKCQUBSQXZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4.ClH/c1-16-5-6-17(18(13-16)26-12-4-11-24-2)14-22-19(23)20(15-25-3)7-9-21-10-8-20;/h5-6,13,21H,4,7-12,14-15H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).