N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide

C20H27N3O2S — CID 10248783

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C20H27N3O2S/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-4-10-21-20(24)19-9-6-16-26-19/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,24)
InChIKeyFJIKITBGGGDJBY-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.09
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide (PubChem CID 10248783) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
PubChem CID10248783
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1
InChIInChI=1S/C20H27N3O2S/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-4-10-21-20(24)19-9-6-16-26-19/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,24)
InChIKeyFJIKITBGGGDJBY-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.09
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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 139080265
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
2-[2-(2-methoxyphenyl)phenyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 72548353
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
CID 10874342
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide (CID 10248783) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
The InChIKey is FJIKITBGGGDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-5-4-10-21-20(24)19-9-6-16-26-19/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,24).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.09, 8 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]thiophene-2-carboxamide is sourced from PubChem (CID 10248783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).