3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C16H25ClN2O2 — CID 120601809

IUPAC3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCOc1cccc(CCC(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-10-14(8-9-17-12)18-16(19)7-6-13-4-3-5-15(11-13)20-2;/h3-5,11-12,14,17H,6-10H2,1-2H3,(H,18,19);1H
InChIKeyOMMKSEVEQUOGGI-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.31
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120601809) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120601809
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCOc1cccc(CCC(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-10-14(8-9-17-12)18-16(19)7-6-13-4-3-5-15(11-13)20-2;/h3-5,11-12,14,17H,6-10H2,1-2H3,(H,18,19);1H
InChIKeyOMMKSEVEQUOGGI-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
2-[(3-methoxyphenyl)methoxy]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598095
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600380
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120601809) is 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is COc1cccc(CCC(=O)NC2CCNC(C)C2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is OMMKSEVEQUOGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-10-14(8-9-17-12)18-16(19)7-6-13-4-3-5-15(11-13)20-2;/h3-5,11-12,14,17H,6-10H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120601809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).