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

C26H31N3O2S — CID 155562681

IUPACN-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccsc4)cc3)CC2)c1
InChIInChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)
InChIKeyVMSBWTDRZMICFC-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.76
Rot. Bonds9

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

N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide (PubChem CID 155562681) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
PubChem CID155562681
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC NameN-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccsc4)cc3)CC2)c1
InChIInChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30)
InChIKeyVMSBWTDRZMICFC-UHFFFAOYSA-N
XLogP4.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.76
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-(7-Methoxy-1-naphthalenyl)-1-piperazinyl)ethyl)-2-thiophenecarboxamide
CID 131907
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 11167060
N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 23648262
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
3-{1-[(5-Acetylthiophen-2-Yl)carbonyl]piperidin-4-Yl}-N-(3-Methoxyphenyl)propanamide
CID 24790658
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
6-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419056
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3,4,5-tetrahydro-7-(2-thienyl)benzo[c]azepin-1-one
CID 54581964
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-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide (CID 155562681) is N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide is COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccsc4)cc3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The InChIKey is VMSBWTDRZMICFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-31-25-6-4-5-24(19-25)29-16-14-28(15-17-29)13-3-2-12-27-26(30)22-9-7-21(8-10-22)23-11-18-32-20-23/h4-11,18-20H,2-3,12-17H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide has a molecular weight of 449.62 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 155562681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).