3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide

C15H21ClN2O2 — CID 120556122

IUPAC3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-10-17-8-6-13(11)18-15(19)7-9-20-14-5-3-2-4-12(14)16/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyGINLUTDBCOLCAD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide

3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120556122) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120556122
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCC1CNCCC1NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-10-17-8-6-13(11)18-15(19)7-9-20-14-5-3-2-4-12(14)16/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyGINLUTDBCOLCAD-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide (CID 120556122) is 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide is CC1CNCCC1NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is GINLUTDBCOLCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-10-17-8-6-13(11)18-15(19)7-9-20-14-5-3-2-4-12(14)16/h2-5,11,13,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120556122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).