2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide

C22H31N3O3 — CID 95716394

IUPAC2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
SMILESCC1(C)Cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)ccc2O1
InChIInChI=1S/C22H31N3O3/c1-22(2)13-16-11-15(7-8-19(16)28-22)14-24-20(26)12-18-21(27)23-9-10-25(18)17-5-3-4-6-17/h7-8,11,17-18H,3-6,9-10,12-14H2,1-2H3,(H,23,27)(H,24,26)/t18-/m1/s1
InChIKeyVGGPZAVPTRNQCA-GOSISDBHSA-N
MW385.51 g/mol
LogP2.15
Rot. Bonds5

About 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide

2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide (PubChem CID 95716394) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
PubChem CID95716394
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
SMILESCC1(C)Cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)ccc2O1
InChIInChI=1S/C22H31N3O3/c1-22(2)13-16-11-15(7-8-19(16)28-22)14-24-20(26)12-18-21(27)23-9-10-25(18)17-5-3-4-6-17/h7-8,11,17-18H,3-6,9-10,12-14H2,1-2H3,(H,23,27)(H,24,26)/t18-/m1/s1
InChIKeyVGGPZAVPTRNQCA-GOSISDBHSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 45196144
2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 42557154
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261
3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-2-one
CID 63270812
N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
CID 119129103
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide
CID 56912716
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 56855032
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150690
N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
CID 45225436
N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide?
The IUPAC name of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide (CID 95716394) is 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide is CC1(C)Cc2cc(CNC(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)ccc2O1.
What is the InChIKey of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide?
The InChIKey is VGGPZAVPTRNQCA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-22(2)13-16-11-15(7-8-19(16)28-22)14-24-20(26)12-18-21(27)23-9-10-25(18)17-5-3-4-6-17/h7-8,11,17-18H,3-6,9-10,12-14H2,1-2H3,(H,23,27)(H,24,26)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide?
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide is sourced from PubChem (CID 95716394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).