N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride

C19H31ClN2O2 — CID 120599814

IUPACN-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NC2CCNC(C)C2)ccc1C(C)C.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-12(2)18-7-6-17(10-13(18)3)23-15(5)19(22)21-16-8-9-20-14(4)11-16;/h6-7,10,12,14-16,20H,8-9,11H2,1-5H3,(H,21,22);1H
InChIKeySDRFPTXMIRVKQW-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.56
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 120599814) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID120599814
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)NC2CCNC(C)C2)ccc1C(C)C.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-12(2)18-7-6-17(10-13(18)3)23-15(5)19(22)21-16-8-9-20-14(4)11-16;/h6-7,10,12,14-16,20H,8-9,11H2,1-5H3,(H,21,22);1H
InChIKeySDRFPTXMIRVKQW-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;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-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
2-(3,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600845
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 111661772
N-(2-methylpiperidin-4-yl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120600973
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037
2-[(3-methoxyphenyl)methoxy]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598095
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride (CID 120599814) is N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride is Cc1cc(OC(C)C(=O)NC2CCNC(C)C2)ccc1C(C)C.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is SDRFPTXMIRVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-12(2)18-7-6-17(10-13(18)3)23-15(5)19(22)21-16-8-9-20-14(4)11-16;/h6-7,10,12,14-16,20H,8-9,11H2,1-5H3,(H,21,22);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120599814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).