N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H23ClN2O5 — CID 119735567

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCOc2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C16H22N2O5.ClH/c1-20-16(4-6-17-7-5-16)15(19)18-8-9-21-12-2-3-13-14(10-12)23-11-22-13;/h2-3,10,17H,4-9,11H2,1H3,(H,18,19);1H
InChIKeyYQTAUQUPJKOVHQ-UHFFFAOYSA-N
MW358.82 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119735567) has the molecular formula C16H23ClN2O5 and a molecular weight of 358.82 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119735567
Molecular FormulaC16H23ClN2O5
Molecular Weight358.82 g/mol
Exact Mass358.13
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCOc2ccc3c(c2)OCO3)CCNCC1.Cl
InChIInChI=1S/C16H22N2O5.ClH/c1-20-16(4-6-17-7-5-16)15(19)18-8-9-21-12-2-3-13-14(10-12)23-11-22-13;/h2-3,10,17H,4-9,11H2,1H3,(H,18,19);1H
InChIKeyYQTAUQUPJKOVHQ-UHFFFAOYSA-N
XLogP1.10
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751814
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167762290
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119734944
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 112975116
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892133
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119735567) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCOc2ccc3c(c2)OCO3)CCNCC1.Cl.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is YQTAUQUPJKOVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5.ClH/c1-20-16(4-6-17-7-5-16)15(19)18-8-9-21-12-2-3-13-14(10-12)23-11-22-13;/h2-3,10,17H,4-9,11H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 358.82 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119735567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).