N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide

C25H29N3O2S — CID 155526424

IUPACN-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
InChIKeyPPNFHFXNWYTHCJ-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.45
Rot. Bonds8

About N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide

N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide (PubChem CID 155526424) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
PubChem CID155526424
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
InChIKeyPPNFHFXNWYTHCJ-UHFFFAOYSA-N
XLogP4.45
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide;oxalic acid
CID 51355144
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
N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155565438
N-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 821304
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9495522
1-(Benzo[b]thiophen-3-yl)-3-(4-(2-hydroxyphenyl)piperazin-1-yl)propan-1-one
CID 10546879
N-[2-hydroxy-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
CID 11397211
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 59761462
cis-BG47
CID 136391459
N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]-4-thiophen-3-ylbenzamide
CID 142573428

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide (CID 155526424) is N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide is O=C(NCCCCN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The InChIKey is PPNFHFXNWYTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-24-6-2-1-5-23(24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)21-9-7-20(8-10-21)22-11-18-31-19-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30).
What are the key properties of N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide has a molecular weight of 435.59 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 155526424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).