2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

C20H33ClN2O2 — CID 119824866

IUPAC2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccccc1C(C)(C)C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-5-14-22(16-10-12-21-13-11-16)19(23)15-24-18-9-7-6-8-17(18)20(2,3)4;/h6-9,16,21H,5,10-15H2,1-4H3;1H
InChIKeyPZVAOYQXWLGIPE-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride

2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (PubChem CID 119824866) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
PubChem CID119824866
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC Name2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)COc1ccccc1C(C)(C)C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-5-14-22(16-10-12-21-13-11-16)19(23)15-24-18-9-7-6-8-17(18)20(2,3)4;/h6-9,16,21H,5,10-15H2,1-4H3;1H
InChIKeyPZVAOYQXWLGIPE-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride 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-(2-phenylmethoxyphenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119825911
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
2-(2-phenylethoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825872
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
N-piperidin-4-yl-N-propyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119825481

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride (CID 119824866) is 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is CCCN(C(=O)COc1ccccc1C(C)(C)C)C1CCNCC1.Cl.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
The InChIKey is PZVAOYQXWLGIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-5-14-22(16-10-12-21-13-11-16)19(23)15-24-18-9-7-6-8-17(18)20(2,3)4;/h6-9,16,21H,5,10-15H2,1-4H3;1H.
What are the key properties of 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride?
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119824866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).