N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide

C21H29N3O2S — CID 10475338

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C21H29N3O2S/c1-26-20-7-3-2-6-19(20)24-13-11-23(12-14-24)10-5-4-9-22-21(25)16-18-8-15-27-17-18/h2-3,6-8,15,17H,4-5,9-14,16H2,1H3,(H,22,25)
InChIKeyLYIGZCRGRLAFLT-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.02
Rot. Bonds9

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide (PubChem CID 10475338) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide
PubChem CID10475338
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C21H29N3O2S/c1-26-20-7-3-2-6-19(20)24-13-11-23(12-14-24)10-5-4-9-22-21(25)16-18-8-15-27-17-18/h2-3,6-8,15,17H,4-5,9-14,16H2,1H3,(H,22,25)
InChIKeyLYIGZCRGRLAFLT-UHFFFAOYSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-ylprop-2-enamide;oxalic acid
CID 44350653
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 71659909
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide (CID 10475338) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide is COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide?
The InChIKey is LYIGZCRGRLAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-26-20-7-3-2-6-19(20)24-13-11-23(12-14-24)10-5-4-9-22-21(25)16-18-8-15-27-17-18/h2-3,6-8,15,17H,4-5,9-14,16H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide has a molecular weight of 387.55 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 10475338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).