3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide

C20H28N2O4 — CID 108556176

IUPAC3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H28N2O4/c1-15-3-5-16(6-4-15)18(23)7-8-20(25)22-12-9-17(10-13-22)21-19(24)11-14-26-2/h3-6,17H,7-14H2,1-2H3,(H,21,24)
InChIKeyFTHLKMKMEGUOJO-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.10
Rot. Bonds8

About 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide

3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide (PubChem CID 108556176) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
PubChem CID108556176
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H28N2O4/c1-15-3-5-16(6-4-15)18(23)7-8-20(25)22-12-9-17(10-13-22)21-19(24)11-14-26-2/h3-6,17H,7-14H2,1-2H3,(H,21,24)
InChIKeyFTHLKMKMEGUOJO-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553238
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562169
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 110819831
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
1-[4-(methylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119544944
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide (CID 108556176) is 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide is COCCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The InChIKey is FTHLKMKMEGUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-3-5-16(6-4-15)18(23)7-8-20(25)22-12-9-17(10-13-22)21-19(24)11-14-26-2/h3-6,17H,7-14H2,1-2H3,(H,21,24).
What are the key properties of 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide has a molecular weight of 360.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108556176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).