2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

C16H25ClN2O2 — CID 120555880

IUPAC2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NC2CCNCC2C)c(C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-4-5-15(12(2)8-11)20-10-16(19)18-14-6-7-17-9-13(14)3;/h4-5,8,13-14,17H,6-7,9-10H2,1-3H3,(H,18,19);1H
InChIKeyNDLVFDMDHAHWDD-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.22
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120555880) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120555880
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NC2CCNCC2C)c(C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-4-5-15(12(2)8-11)20-10-16(19)18-14-6-7-17-9-13(14)3;/h4-5,8,13-14,17H,6-7,9-10H2,1-3H3,(H,18,19);1H
InChIKeyNDLVFDMDHAHWDD-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120554661
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120553639
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 11917022
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120555880) is 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is Cc1ccc(OCC(=O)NC2CCNCC2C)c(C)c1.Cl.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is NDLVFDMDHAHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-4-5-15(12(2)8-11)20-10-16(19)18-14-6-7-17-9-13(14)3;/h4-5,8,13-14,17H,6-7,9-10H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).