N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide

C17H25ClN2O2 — CID 119690043

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCOc1ccc(Cl)cc1)C1CCCNC1
InChIInChI=1S/C17H25ClN2O2/c1-13(14-3-2-8-19-12-14)11-17(21)20-9-10-22-16-6-4-15(18)5-7-16/h4-7,13-14,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyYJXYBLODBWJIMG-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide

N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119690043) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119690043
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCCOc1ccc(Cl)cc1)C1CCCNC1
InChIInChI=1S/C17H25ClN2O2/c1-13(14-3-2-8-19-12-14)11-17(21)20-9-10-22-16-6-4-15(18)5-7-16/h4-7,13-14,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyYJXYBLODBWJIMG-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[2-(4-methylsulfonylphenoxy)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777473
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119754365
N-[3-(2-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119772269
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 103809934
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide (CID 119690043) is N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCCOc1ccc(Cl)cc1)C1CCCNC1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is YJXYBLODBWJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(14-3-2-8-19-12-14)11-17(21)20-9-10-22-16-6-4-15(18)5-7-16/h4-7,13-14,19H,2-3,8-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 324.85 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119690043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).