2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

C24H37N3O2 — CID 42842520

IUPAC2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C24H37N3O2/c1-18(19-10-6-5-7-11-19)25-22(28)21(20-12-8-9-13-20)26-14-16-27(17-15-26)23(29)24(2,3)4/h5-7,10-11,18,20-21H,8-9,12-17H2,1-4H3,(H,25,28)
InChIKeyUEQVNULFMDYALI-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.61
Rot. Bonds5

About 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 42842520) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID42842520
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C24H37N3O2/c1-18(19-10-6-5-7-11-19)25-22(28)21(20-12-8-9-13-20)26-14-16-27(17-15-26)23(29)24(2,3)4/h5-7,10-11,18,20-21H,8-9,12-17H2,1-4H3,(H,25,28)
InChIKeyUEQVNULFMDYALI-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 93209177
methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
CID 42842519
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
N-butan-2-yl-2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 42842489
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
CID 42842510
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
N-cyclopropyl-2-[4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazin-1-yl]propanamide
CID 46697935
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 42842520) is 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)C(C1CCCC1)N1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is UEQVNULFMDYALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18(19-10-6-5-7-11-19)25-22(28)21(20-12-8-9-13-20)26-14-16-27(17-15-26)23(29)24(2,3)4/h5-7,10-11,18,20-21H,8-9,12-17H2,1-4H3,(H,25,28).
What are the key properties of 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 399.58 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 42842520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).