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

C19H26N2O3 — CID 108556085

IUPACN-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-3-18(23)20-16-10-12-21(13-11-16)19(24)9-8-17(22)15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyMPLOMJRETPWTIC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.48
Rot. Bonds6

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

N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide (PubChem CID 108556085) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
PubChem CID108556085
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-3-18(23)20-16-10-12-21(13-11-16)19(24)9-8-17(22)15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3,(H,20,23)
InChIKeyMPLOMJRETPWTIC-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

4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553238
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119646425
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
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
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide (CID 108556085) is N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
The InChIKey is MPLOMJRETPWTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-18(23)20-16-10-12-21(13-11-16)19(24)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 N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide?
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide 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 N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108556085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).