4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide

C17H26N2O2 — CID 119461960

IUPAC4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
SMILESCc1cccc(OCCCC(=O)NCC2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-2-7-16(11-14)21-10-4-8-17(20)19-13-15-6-3-9-18-12-15/h2,5,7,11,15,18H,3-4,6,8-10,12-13H2,1H3,(H,19,20)
InChIKeyBGMLFAKYILHLAU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.27
Rot. Bonds7

About 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide

4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119461960) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119461960
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
SMILESCc1cccc(OCCCC(=O)NCC2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-2-7-16(11-14)21-10-4-8-17(20)19-13-15-6-3-9-18-12-15/h2,5,7,11,15,18H,3-4,6,8-10,12-13H2,1H3,(H,19,20)
InChIKeyBGMLFAKYILHLAU-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.27
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-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide
CID 119464575
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
CID 106131941
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082
5-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)pentanamide
CID 119461425
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide (CID 119461960) is 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide is Cc1cccc(OCCCC(=O)NCC2CCCNC2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is BGMLFAKYILHLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-5-2-7-16(11-14)21-10-4-8-17(20)19-13-15-6-3-9-18-12-15/h2,5,7,11,15,18H,3-4,6,8-10,12-13H2,1H3,(H,19,20).
What are the key properties of 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide?
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119461960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).