[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone

C24H25N3O3S — CID 16730886

IUPAC[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C24H25N3O3S/c28-17(15-26-10-12-27(13-11-26)24(29)22-9-4-14-31-22)16-30-21-8-3-7-20-23(21)18-5-1-2-6-19(18)25-20/h1-9,14,17,25,28H,10-13,15-16H2
InChIKeyJBWGWPUPQMVMJA-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.58
Rot. Bonds6

About [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 16730886) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID16730886
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C24H25N3O3S/c28-17(15-26-10-12-27(13-11-26)24(29)22-9-4-14-31-22)16-30-21-8-3-7-20-23(21)18-5-1-2-6-19(18)25-20/h1-9,14,17,25,28H,10-13,15-16H2
InChIKeyJBWGWPUPQMVMJA-UHFFFAOYSA-N
XLogP3.58
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9H-carbazol-4-yloxy)-3-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 16730732
1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 16730970
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819
ethyl 4-[2-hydroxy-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propoxy]benzoate
CID 55462369
[4-[(2R)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 39951225
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
2-[[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 46889670
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
CID 112845209

Frequently Asked Questions

What is the IUPAC name of [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 16730886) is [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JBWGWPUPQMVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-17(15-26-10-12-27(13-11-26)24(29)22-9-4-14-31-22)16-30-21-8-3-7-20-23(21)18-5-1-2-6-19(18)25-20/h1-9,14,17,25,28H,10-13,15-16H2.
What are the key properties of [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 435.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 16730886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).