6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone

C23H27N3OS — CID 22017564

IUPAC6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1cccs1)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1
InChIInChI=1S/C23H27N3OS/c1-16(22-7-4-14-28-22)25-10-12-26(13-11-25)23(27)17-8-9-21-19(15-17)18-5-2-3-6-20(18)24-21/h4,7-9,14-16,24H,2-3,5-6,10-13H2,1H3
InChIKeyASPCYGJDFCMCOR-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.63
Rot. Bonds3

About 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone

6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 22017564) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID22017564
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1cccs1)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1
InChIInChI=1S/C23H27N3OS/c1-16(22-7-4-14-28-22)25-10-12-26(13-11-25)23(27)17-8-9-21-19(15-17)18-5-2-3-6-20(18)24-21/h4,7-9,14-16,24H,2-3,5-6,10-13H2,1H3
InChIKeyASPCYGJDFCMCOR-UHFFFAOYSA-N
XLogP4.63
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 25398074
[4-(benzenesulfonyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 27509510
[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 41247140
N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 102603763
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 136525932
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
methyl 2-(thiophene-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757347
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 55414599
(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 95557304
3-oxobutan-2-yl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 46792554

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone (CID 22017564) is 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone is CC(c1cccs1)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is ASPCYGJDFCMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-16(22-7-4-14-28-22)25-10-12-26(13-11-25)23(27)17-8-9-21-19(15-17)18-5-2-3-6-20(18)24-21/h4,7-9,14-16,24H,2-3,5-6,10-13H2,1H3.
What are the key properties of 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone?
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 393.56 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22017564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).