N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide

C24H28N2O3 — CID 46401834

IUPACN-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H28N2O3/c1-17-8-9-21(18(2)14-17)24(29)20-10-12-26(13-11-20)23(28)16-25-22(27)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyIGMNQGJRQJUAQV-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.08
Rot. Bonds6

About N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide

N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 46401834) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID46401834
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H28N2O3/c1-17-8-9-21(18(2)14-17)24(29)20-10-12-26(13-11-20)23(28)16-25-22(27)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyIGMNQGJRQJUAQV-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide
CID 46424827
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
3-(1,3-benzodioxol-5-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propan-1-one
CID 31829860
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 31828706
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
CID 46410513
3-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]propanoic acid
CID 136526221
1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
CID 119166509
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 46401834) is N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide is Cc1ccc(C(=O)C2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is IGMNQGJRQJUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-8-9-21(18(2)14-17)24(29)20-10-12-26(13-11-20)23(28)16-25-22(27)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 392.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 46401834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).