N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H24Cl2N2O3 — CID 120623811

IUPACN-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCOc2cccc(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-21-12-16(5-7-18-8-6-16)15(20)19-9-10-22-14-4-2-3-13(17)11-14;/h2-4,11,18H,5-10,12H2,1H3,(H,19,20);1H
InChIKeyJVFQOLFJEUIKIP-UHFFFAOYSA-N
MW363.29 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120623811) has the molecular formula C16H24Cl2N2O3 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120623811
Molecular FormulaC16H24Cl2N2O3
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCOc2cccc(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-21-12-16(5-7-18-8-6-16)15(20)19-9-10-22-14-4-2-3-13(17)11-14;/h2-4,11,18H,5-10,12H2,1H3,(H,19,20);1H
InChIKeyJVFQOLFJEUIKIP-UHFFFAOYSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 52.27
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

4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636634
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
CID 120632708
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120623811) is N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCOc2cccc(Cl)c2)CCNCC1.Cl.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JVFQOLFJEUIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3.ClH/c1-21-12-16(5-7-18-8-6-16)15(20)19-9-10-22-14-4-2-3-13(17)11-14;/h2-4,11,18H,5-10,12H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).