4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide

C20H30N2O2 — CID 51164342

IUPAC4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC(C)(C)N2CCCCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-16-7-9-17(10-8-16)18(23)11-12-19(24)21-15-20(2,3)22-13-5-4-6-14-22/h7-10H,4-6,11-15H2,1-3H3,(H,21,24)
InChIKeyTXADEPZWEPKHEQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.34
Rot. Bonds7

About 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide

4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide (PubChem CID 51164342) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
PubChem CID51164342
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NCC(C)(C)N2CCCCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-16-7-9-17(10-8-16)18(23)11-12-19(24)21-15-20(2,3)22-13-5-4-6-14-22/h7-10H,4-6,11-15H2,1-3H3,(H,21,24)
InChIKeyTXADEPZWEPKHEQ-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 51164347
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
CID 110622566
1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396
3-methyl-N-[2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51164327
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
2,2-dimethyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]propanamide
CID 108540704
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 30480392
N-(2-methyl-2-piperidin-1-ylpropyl)-2-methylsulfanylacetamide
CID 78785728
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 51163428

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide (CID 51164342) is 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NCC(C)(C)N2CCCCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide?
The InChIKey is TXADEPZWEPKHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-7-9-17(10-8-16)18(23)11-12-19(24)21-15-20(2,3)22-13-5-4-6-14-22/h7-10H,4-6,11-15H2,1-3H3,(H,21,24).
What are the key properties of 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide?
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide has a molecular weight of 330.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 51164342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).