4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide

C20H30N2O3 — CID 51099911

IUPAC4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide
SMILESCCN1CCC(CNC(=O)CCCOc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C20H30N2O3/c1-3-22-11-9-17(10-12-22)15-21-20(24)8-5-13-25-19-7-4-6-18(14-19)16(2)23/h4,6-7,14,17H,3,5,8-13,15H2,1-2H3,(H,21,24)
InChIKeyODOMZGVRQMSIJH-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.90
Rot. Bonds9

About 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide

4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide (PubChem CID 51099911) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide
PubChem CID51099911
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide
SMILESCCN1CCC(CNC(=O)CCCOc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C20H30N2O3/c1-3-22-11-9-17(10-12-22)15-21-20(24)8-5-13-25-19-7-4-6-18(14-19)16(2)23/h4,6-7,14,17H,3,5,8-13,15H2,1-2H3,(H,21,24)
InChIKeyODOMZGVRQMSIJH-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
CID 95979549
4-(3-acetylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119647391
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
1-[4-(3-acetylphenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166436
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
4-(3-acetylphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119492322
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 60621848
4-(3-acetylphenoxy)-N-[2-(4-aminophenyl)ethyl]butanamide;hydrochloride
CID 119549182
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide (CID 51099911) is 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide is CCN1CCC(CNC(=O)CCCOc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide?
The InChIKey is ODOMZGVRQMSIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-22-11-9-17(10-12-22)15-21-20(24)8-5-13-25-19-7-4-6-18(14-19)16(2)23/h4,6-7,14,17H,3,5,8-13,15H2,1-2H3,(H,21,24).
What are the key properties of 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide?
4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide has a molecular weight of 346.47 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 51099911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).