2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide

C18H27N3O2 — CID 31149436

IUPAC2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)13-17(23)21-11-9-20(10-12-21)14-16(22)19-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)
InChIKeyCLGASGYDKHNLMU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.21
Rot. Bonds4

About 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31149436) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31149436
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)13-17(23)21-11-9-20(10-12-21)14-16(22)19-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)
InChIKeyCLGASGYDKHNLMU-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 60503858
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-[4-(4-methylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31149030
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 1056059
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348719
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide (CID 31149436) is 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide is CC(C)(C)CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is CLGASGYDKHNLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)13-17(23)21-11-9-20(10-12-21)14-16(22)19-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22).
What are the key properties of 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 317.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31149436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).