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

C25H33N3O3S — CID 24719212

IUPAC2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C25H33N3O3S/c1-31-21-10-5-4-7-19(21)12-13-26-24(29)23(20-8-2-3-9-20)27-14-16-28(17-15-27)25(30)22-11-6-18-32-22/h4-7,10-11,18,20,23H,2-3,8-9,12-17H2,1H3,(H,26,29)
InChIKeyPNFDPRJIJYICIH-UHFFFAOYSA-N
MW455.62 g/mol
LogP3.43
Rot. Bonds8

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

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 24719212) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID24719212
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C25H33N3O3S/c1-31-21-10-5-4-7-19(21)12-13-26-24(29)23(20-8-2-3-9-20)27-14-16-28(17-15-27)25(30)22-11-6-18-32-22/h4-7,10-11,18,20,23H,2-3,8-9,12-17H2,1H3,(H,26,29)
InChIKeyPNFDPRJIJYICIH-UHFFFAOYSA-N
XLogP3.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 46024703
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42842732
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
(2R)-2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 93210434
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 46024650
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52907474
2-cyclopentyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842812
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 24719212) is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is COc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is PNFDPRJIJYICIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-31-21-10-5-4-7-19(21)12-13-26-24(29)23(20-8-2-3-9-20)27-14-16-28(17-15-27)25(30)22-11-6-18-32-22/h4-7,10-11,18,20,23H,2-3,8-9,12-17H2,1H3,(H,26,29).
What are the key properties of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 455.62 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24719212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).