4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide

C18H28N2O2 — CID 120602231

IUPAC4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCNC(C)C2)cc1C
InChIInChI=1S/C18H28N2O2/c1-13-6-7-17(11-14(13)2)22-10-4-5-18(21)20-16-8-9-19-15(3)12-16/h6-7,11,15-16,19H,4-5,8-10,12H2,1-3H3,(H,20,21)
InChIKeyORTPSIOZJSRUCR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.72
Rot. Bonds6

About 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide

4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide (PubChem CID 120602231) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
PubChem CID120602231
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCc1ccc(OCCCC(=O)NC2CCNC(C)C2)cc1C
InChIInChI=1S/C18H28N2O2/c1-13-6-7-17(11-14(13)2)22-10-4-5-18(21)20-16-8-9-19-15(3)12-16/h6-7,11,15-16,19H,4-5,8-10,12H2,1-3H3,(H,20,21)
InChIKeyORTPSIOZJSRUCR-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide (CID 120602231) is 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide is Cc1ccc(OCCCC(=O)NC2CCNC(C)C2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The InChIKey is ORTPSIOZJSRUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-6-7-17(11-14(13)2)22-10-4-5-18(21)20-16-8-9-19-15(3)12-16/h6-7,11,15-16,19H,4-5,8-10,12H2,1-3H3,(H,20,21).
What are the key properties of 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide has a molecular weight of 304.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 120602231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).