N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide

C24H29N3O3 — CID 142161748

IUPACN-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1=O
InChIInChI=1S/C24H29N3O3/c1-18-8-6-9-19(2)24(18)25-21(28)16-26-14-15-27(17-23(26)30)22(29)13-7-12-20-10-4-3-5-11-20/h3-6,8-11H,7,12-17H2,1-2H3,(H,25,28)
InChIKeyHWPQVWKGTMFELQ-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.94
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 142161748) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide
PubChem CID142161748
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1=O
InChIInChI=1S/C24H29N3O3/c1-18-8-6-9-19(2)24(18)25-21(28)16-26-14-15-27(17-23(26)30)22(29)13-7-12-20-10-4-3-5-11-20/h3-6,8-11H,7,12-17H2,1-2H3,(H,25,28)
InChIKeyHWPQVWKGTMFELQ-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylbutanoyl)-4-propyl-1,4-diazepan-5-one
CID 26280630
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CID 91771683
N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide
CID 37213698
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 27851017
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42699849
N-(2,6-dimethylphenyl)-4,4-diethyl-8-phenyloctanamide
CID 155692236
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
1-methyl-3-(4-phenylbutanoyl)imidazolidine-2,4-dione
CID 102155035
N-(2,6-dimethylphenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetamide
CID 27760086
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide (CID 142161748) is N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is HWPQVWKGTMFELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-8-6-9-19(2)24(18)25-21(28)16-26-14-15-27(17-23(26)30)22(29)13-7-12-20-10-4-3-5-11-20/h3-6,8-11H,7,12-17H2,1-2H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-oxo-4-(4-phenylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 142161748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).