4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C18H29ClN2O4 — CID 120638200

IUPAC4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCCOc1cccc(NC(=O)C2(COC)CCNCC2)c1.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-22-11-4-12-24-16-6-3-5-15(13-16)20-17(21)18(14-23-2)7-9-19-10-8-18;/h3,5-6,13,19H,4,7-12,14H2,1-2H3,(H,20,21);1H
InChIKeyDQSNRVPMOYVSCY-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.48
Rot. Bonds9

About 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120638200) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120638200
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC Name4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCCCOc1cccc(NC(=O)C2(COC)CCNCC2)c1.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-22-11-4-12-24-16-6-3-5-15(13-16)20-17(21)18(14-23-2)7-9-19-10-8-18;/h3,5-6,13,19H,4,7-12,14H2,1-2H3,(H,20,21);1H
InChIKeyDQSNRVPMOYVSCY-UHFFFAOYSA-N
XLogP2.48
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.48
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

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621139
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616476
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120617162
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120638200) is 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride is COCCCOc1cccc(NC(=O)C2(COC)CCNCC2)c1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DQSNRVPMOYVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-22-11-4-12-24-16-6-3-5-15(13-16)20-17(21)18(14-23-2)7-9-19-10-8-18;/h3,5-6,13,19H,4,7-12,14H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).