N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide

C25H30N2O5 — CID 46491795

IUPACN-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O5/c1-18(28)20-10-11-22(23(17-20)31-2)32-16-6-9-24(29)27-14-12-21(13-15-27)26-25(30)19-7-4-3-5-8-19/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,26,30)
InChIKeyHLZKZJIVRABGTC-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.48
Rot. Bonds9

About N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide

N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 46491795) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID46491795
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC NameN-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O5/c1-18(28)20-10-11-22(23(17-20)31-2)32-16-6-9-24(29)27-14-12-21(13-15-27)26-25(30)19-7-4-3-5-8-19/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,26,30)
InChIKeyHLZKZJIVRABGTC-UHFFFAOYSA-N
XLogP3.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.48
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

4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 34424345
4-(4-acetyl-2-methoxyphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119485550
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565468
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
4-(4-acetyl-2-methoxyphenoxy)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 60521078
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
CID 46469909
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 46491795) is N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide is COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is HLZKZJIVRABGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-18(28)20-10-11-22(23(17-20)31-2)32-16-6-9-24(29)27-14-12-21(13-15-27)26-25(30)19-7-4-3-5-8-19/h3-5,7-8,10-11,17,21H,6,9,12-16H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide?
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 438.52 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46491795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).