3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C19H31ClN2O2 — CID 119557189

IUPAC3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCOc1ccccc1CC(C)(C)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-19(2,13-16-8-4-5-9-17(16)23-3)18(22)21-12-10-15-7-6-11-20-14-15;/h4-5,8-9,15,20H,6-7,10-14H2,1-3H3,(H,21,22);1H
InChIKeyBZJNFVTVEAWIDJ-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.19
Rot. Bonds7

About 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119557189) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119557189
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCOc1ccccc1CC(C)(C)C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-19(2,13-16-8-4-5-9-17(16)23-3)18(22)21-12-10-15-7-6-11-20-14-15;/h4-5,8-9,15,20H,6-7,10-14H2,1-3H3,(H,21,22);1H
InChIKeyBZJNFVTVEAWIDJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2,2-dimethyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535148
3-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)butanamide
CID 119555918
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
N-(2-piperidin-3-ylethyl)-3-[2-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119558303
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 119506968
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119557189) is 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is COc1ccccc1CC(C)(C)C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is BZJNFVTVEAWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-19(2,13-16-8-4-5-9-17(16)23-3)18(22)21-12-10-15-7-6-11-20-14-15;/h4-5,8-9,15,20H,6-7,10-14H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,2-dimethyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119557189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).