2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

C15H21ClN2O2 — CID 119462343

IUPAC2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCC2CCCNC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-7-13(4-5-14(11)16)20-10-15(19)18-9-12-3-2-6-17-8-12/h4-5,7,12,17H,2-3,6,8-10H2,1H3,(H,18,19)
InChIKeyZXAOFNOGAOWVQS-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.14
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119462343) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119462343
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1cc(OCC(=O)NCC2CCCNC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-7-13(4-5-14(11)16)20-10-15(19)18-9-12-3-2-6-17-8-12/h4-5,7,12,17H,2-3,6,8-10H2,1H3,(H,18,19)
InChIKeyZXAOFNOGAOWVQS-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460626

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide (CID 119462343) is 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is Cc1cc(OCC(=O)NCC2CCCNC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is ZXAOFNOGAOWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-7-13(4-5-14(11)16)20-10-15(19)18-9-12-3-2-6-17-8-12/h4-5,7,12,17H,2-3,6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 296.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119462343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).