4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide

C16H22N2O3 — CID 62490445

IUPAC4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
SMILESCc1cccc(OCCCC(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C16H22N2O3/c1-12-4-2-5-14(10-12)21-9-3-6-16(20)18-13-7-8-15(19)17-11-13/h2,4-5,10,13H,3,6-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyJXJJQLYLKXZVAI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.55
Rot. Bonds6

About 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide

4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide (PubChem CID 62490445) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
PubChem CID62490445
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
SMILESCc1cccc(OCCCC(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C16H22N2O3/c1-12-4-2-5-14(10-12)21-9-3-6-16(20)18-13-7-8-15(19)17-11-13/h2,4-5,10,13H,3,6-9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyJXJJQLYLKXZVAI-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.55
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-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62896622
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
N-(2-hydroxycyclohexyl)-4-(3-methylphenoxy)butanamide
CID 62365265
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62490585

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide (CID 62490445) is 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide is Cc1cccc(OCCCC(=O)NC2CCC(=O)NC2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
The InChIKey is JXJJQLYLKXZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-2-5-14(10-12)21-9-3-6-16(20)18-13-7-8-15(19)17-11-13/h2,4-5,10,13H,3,6-9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide?
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide has a molecular weight of 290.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 62490445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).