N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide

C26H35N3O3 — CID 60578880

IUPACN-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C26H35N3O3/c1-18(2)23(24(31)28-12-14-29(15-13-28)25(32)26(3,4)5)27-22(30)17-19-10-11-20-8-6-7-9-21(20)16-19/h6-11,16,18,23H,12-15,17H2,1-5H3,(H,27,30)
InChIKeyXLSLNXOKXVBOLW-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.24
Rot. Bonds5

About N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide

N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide (PubChem CID 60578880) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide
PubChem CID60578880
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C26H35N3O3/c1-18(2)23(24(31)28-12-14-29(15-13-28)25(32)26(3,4)5)27-22(30)17-19-10-11-20-8-6-7-9-21(20)16-19/h6-11,16,18,23H,12-15,17H2,1-5H3,(H,27,30)
InChIKeyXLSLNXOKXVBOLW-UHFFFAOYSA-N
XLogP3.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 42904601
(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide
CID 97011311
N-[(2S)-1-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 52507090
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide;hydrochloride
CID 119373353
N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9041445
4-hydroxy-1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119251773
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084
N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 134021620
N-[(2S)-1-(4-benzoylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 41235170
N-[1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 134021905

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide (CID 60578880) is N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is XLSLNXOKXVBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18(2)23(24(31)28-12-14-29(15-13-28)25(32)26(3,4)5)27-22(30)17-19-10-11-20-8-6-7-9-21(20)16-19/h6-11,16,18,23H,12-15,17H2,1-5H3,(H,27,30).
What are the key properties of N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide?
N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 437.58 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 60578880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).