4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

C18H27ClN2O3 — CID 120575882

IUPAC4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(=O)c1cccc(OCCCC(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-13-17(8-4-10-19-13)20-18(22)9-5-11-23-16-7-3-6-15(12-16)14(2)21;/h3,6-7,12-13,17,19H,4-5,8-11H2,1-2H3,(H,20,22);1H
InChIKeyRJUWXZNFURDGGS-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.73
Rot. Bonds7

About 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 120575882) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID120575882
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(=O)c1cccc(OCCCC(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-13-17(8-4-10-19-13)20-18(22)9-5-11-23-16-7-3-6-15(12-16)14(2)21;/h3,6-7,12-13,17,19H,4-5,8-11H2,1-2H3,(H,20,22);1H
InChIKeyRJUWXZNFURDGGS-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576787
N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 120574067
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917453
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (CID 120575882) is 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is CC(=O)c1cccc(OCCCC(=O)NC2CCCNC2C)c1.Cl.
What is the InChIKey of 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is RJUWXZNFURDGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-13-17(8-4-10-19-13)20-18(22)9-5-11-23-16-7-3-6-15(12-16)14(2)21;/h3,6-7,12-13,17,19H,4-5,8-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120575882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).