4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide

C23H36N2O4 — CID 55743530

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NCCCCN1CCC(C)CC1
InChIInChI=1S/C23H36N2O4/c1-18-10-14-25(15-11-18)13-5-4-12-24-23(27)7-6-16-29-21-9-8-20(19(2)26)17-22(21)28-3/h8-9,17-18H,4-7,10-16H2,1-3H3,(H,24,27)
InChIKeyHEMIIJWUYPVDCX-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.69
Rot. Bonds12

About 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide (PubChem CID 55743530) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
PubChem CID55743530
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NCCCCN1CCC(C)CC1
InChIInChI=1S/C23H36N2O4/c1-18-10-14-25(15-11-18)13-5-4-12-24-23(27)7-6-16-29-21-9-8-20(19(2)26)17-22(21)28-3/h8-9,17-18H,4-7,10-16H2,1-3H3,(H,24,27)
InChIKeyHEMIIJWUYPVDCX-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 30540651
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]butanamide
CID 60568950
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 7247975
2-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 55717369
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(2,6-dichlorophenyl)ethyl]butanamide
CID 60566414
4-(4-acetyl-2-methoxyphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]butanamide
CID 55749212
1-[4-[3-[4-[bis(4-methoxyphenyl)methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 14407126
4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388425
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide (CID 55743530) is 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)NCCCCN1CCC(C)CC1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
The InChIKey is HEMIIJWUYPVDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-18-10-14-25(15-11-18)13-5-4-12-24-23(27)7-6-16-29-21-9-8-20(19(2)26)17-22(21)28-3/h8-9,17-18H,4-7,10-16H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide has a molecular weight of 404.55 g/mol, XLogP of 3.69, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide is sourced from PubChem (CID 55743530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).