2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide

C26H35N3O3S — CID 46024703

IUPAC2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C26H35N3O3S/c1-32-23-11-5-4-7-20(23)12-13-27-26(31)25(21-8-2-3-9-21)29-16-14-28(15-17-29)24(30)19-22-10-6-18-33-22/h4-7,10-11,18,21,25H,2-3,8-9,12-17,19H2,1H3,(H,27,31)
InChIKeyNDEMTDZYISEGEV-UHFFFAOYSA-N
MW469.65 g/mol
LogP3.36
Rot. Bonds9

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

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 46024703) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
PubChem CID46024703
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC Name2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C26H35N3O3S/c1-32-23-11-5-4-7-20(23)12-13-27-26(31)25(21-8-2-3-9-21)29-16-14-28(15-17-29)24(30)19-22-10-6-18-33-22/h4-7,10-11,18,21,25H,2-3,8-9,12-17,19H2,1H3,(H,27,31)
InChIKeyNDEMTDZYISEGEV-UHFFFAOYSA-N
XLogP3.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42842732
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265
2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 24719213
(2R)-2-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 93210253
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024690
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide
CID 42843618
2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 24719942
1-[4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802590
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108544530
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide (CID 46024703) is 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide is COc1ccccc1CCNC(=O)C(C1CCCC1)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is NDEMTDZYISEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-32-23-11-5-4-7-20(23)12-13-27-26(31)25(21-8-2-3-9-21)29-16-14-28(15-17-29)24(30)19-22-10-6-18-33-22/h4-7,10-11,18,21,25H,2-3,8-9,12-17,19H2,1H3,(H,27,31).
What are the key properties of 2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 469.65 g/mol, XLogP of 3.36, 9 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-(2-thiophen-2-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).