3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

C16H25ClN2O2 — CID 120557730

IUPAC3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-4-3-5-14(10-12)20-9-7-16(19)18-15-6-8-17-11-13(15)2;/h3-5,10,13,15,17H,6-9,11H2,1-2H3,(H,18,19);1H
InChIKeyWUPFAQSJHUAMLE-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds5

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

3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120557730) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120557730
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCc1cccc(OCCC(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-4-3-5-14(10-12)20-9-7-16(19)18-15-6-8-17-11-13(15)2;/h3-5,10,13,15,17H,6-9,11H2,1-2H3,(H,18,19);1H
InChIKeyWUPFAQSJHUAMLE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120557730) is 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is Cc1cccc(OCCC(=O)NC2CCNCC2C)c1.Cl.
What is the InChIKey of 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is WUPFAQSJHUAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-4-3-5-14(10-12)20-9-7-16(19)18-15-6-8-17-11-13(15)2;/h3-5,10,13,15,17H,6-9,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120557730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).