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

C25H29N3O2S — CID 155550445

IUPACN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccc(O)cc2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H29N3O2S/c29-24-9-7-23(8-10-24)28-16-14-27(15-17-28)13-2-1-12-26-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19,29H,1-2,12-17H2,(H,26,30)
InChIKeyNERCWRWKDLNUBZ-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.45
Rot. Bonds8

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

N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide (PubChem CID 155550445) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
PubChem CID155550445
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccc(O)cc2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H29N3O2S/c29-24-9-7-23(8-10-24)28-16-14-27(15-17-28)13-2-1-12-26-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19,29H,1-2,12-17H2,(H,26,30)
InChIKeyNERCWRWKDLNUBZ-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

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-{4-[(4-hydroxyphenyl)carbamoyl]phenyl}thiophene-2-carboxamide
CID 880338
5-(3-(Dimethylamino)phenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934326
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 59761462
N-[2-[(4-hydroxyphenyl)carbamoyl]-4-iodophenyl]thiophene-2-carboxamide
CID 44128187
N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155526424
WW-III-55
CID 155553911
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155562681
1-(2,5-Dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 25162737
N-[1-[(4-hydroxyanilino)carbonyl]-2-(2-thienyl)vinyl]benzamide
CID 1724958
Sdccgsbi-0662025.P001
CID 2451423

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide (CID 155550445) is N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide is O=C(NCCCCN1CCN(c2ccc(O)cc2)CC1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
The InChIKey is NERCWRWKDLNUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c29-24-9-7-23(8-10-24)28-16-14-27(15-17-28)13-2-1-12-26-25(30)21-5-3-20(4-6-21)22-11-18-31-19-22/h3-11,18-19,29H,1-2,12-17H2,(H,26,30).
What are the key properties of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide?
N-[4-[4-(4-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-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 155550445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).