N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide

C21H31ClN2O3 — CID 86873849

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(OC2CCCCC2)CC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C21H31ClN2O3/c22-17-5-4-8-20(15-17)26-14-11-23-21(25)16-24-12-9-19(10-13-24)27-18-6-2-1-3-7-18/h4-5,8,15,18-19H,1-3,6-7,9-14,16H2,(H,23,25)
InChIKeyQMETUCHBAJTPDV-UHFFFAOYSA-N
MW394.94 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide

N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide (PubChem CID 86873849) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
PubChem CID86873849
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(OC2CCCCC2)CC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C21H31ClN2O3/c22-17-5-4-8-20(15-17)26-14-11-23-21(25)16-24-12-9-19(10-13-24)27-18-6-2-1-3-7-18/h4-5,8,15,18-19H,1-3,6-7,9-14,16H2,(H,23,25)
InChIKeyQMETUCHBAJTPDV-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 53.65
H-Bond Donors ≤ 51
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]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 60502116
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348
2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86873846
N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[2-(3-methylphenoxy)ethyl]-2-(4-pyrazolidin-3-ylpiperidin-1-yl)acetamide
CID 75617168
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905101
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide (CID 86873849) is N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide is O=C(CN1CCC(OC2CCCCC2)CC1)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide?
The InChIKey is QMETUCHBAJTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3/c22-17-5-4-8-20(15-17)26-14-11-23-21(25)16-24-12-9-19(10-13-24)27-18-6-2-1-3-7-18/h4-5,8,15,18-19H,1-3,6-7,9-14,16H2,(H,23,25).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide has a molecular weight of 394.94 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide is sourced from PubChem (CID 86873849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).