2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C24H31N3O2S — CID 42842497

IUPAC2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O2S/c1-18(19-8-3-2-4-9-19)25-23(28)22(20-10-5-6-11-20)26-13-15-27(16-14-26)24(29)21-12-7-17-30-21/h2-4,7-9,12,17-18,20,22H,5-6,10-11,13-16H2,1H3,(H,25,28)
InChIKeyWMMLKGKWJHEDHQ-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.94
Rot. Bonds6

About 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 42842497) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID42842497
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C24H31N3O2S/c1-18(19-8-3-2-4-9-19)25-23(28)22(20-10-5-6-11-20)26-13-15-27(16-14-26)24(29)21-12-7-17-30-21/h2-4,7-9,12,17-18,20,22H,5-6,10-11,13-16H2,1H3,(H,25,28)
InChIKeyWMMLKGKWJHEDHQ-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-cyclopentyl-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 42842520
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(1-phenylethyl)acetamide
CID 42842510
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 46024650
(2R)-2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93210434
(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208442
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
(2R)-2-cyclopentyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93209207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 42842497) is 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is CC(NC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WMMLKGKWJHEDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-18(19-8-3-2-4-9-19)25-23(28)22(20-10-5-6-11-20)26-13-15-27(16-14-26)24(29)21-12-7-17-30-21/h2-4,7-9,12,17-18,20,22H,5-6,10-11,13-16H2,1H3,(H,25,28).
What are the key properties of 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 425.60 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42842497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).