4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide

C19H26N2O3 — CID 108552078

IUPAC4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
SMILESCCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-3-19(24)21-12-10-16(11-13-21)20-18(23)9-8-17(22)15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyFEQYBMJLTVTYQI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds6

About 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide

4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide (PubChem CID 108552078) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
PubChem CID108552078
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
SMILESCCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-3-19(24)21-12-10-16(11-13-21)20-18(23)9-8-17(22)15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyFEQYBMJLTVTYQI-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide (CID 108552078) is 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide is CCC(=O)N1CCC(NC(=O)CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide?
The InChIKey is FEQYBMJLTVTYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-19(24)21-12-10-16(11-13-21)20-18(23)9-8-17(22)15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,20,23).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide?
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide has a molecular weight of 330.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide is sourced from PubChem (CID 108552078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).