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

C24H27N3O — CID 25398074

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1
InChIInChI=1S/C24H27N3O/c1-17-5-4-6-19(15-17)26-11-13-27(14-12-26)24(28)18-9-10-23-21(16-18)20-7-2-3-8-22(20)25-23/h4-6,9-10,15-16,25H,2-3,7-8,11-14H2,1H3
InChIKeyGSSSJLZVEBQEIZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.32
Rot. Bonds2

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

[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone (PubChem CID 25398074) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
PubChem CID25398074
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1
InChIInChI=1S/C24H27N3O/c1-17-5-4-6-19(15-17)26-11-13-27(14-12-26)24(28)18-9-10-23-21(16-18)20-7-2-3-8-22(20)25-23/h4-6,9-10,15-16,25H,2-3,7-8,11-14H2,1H3
InChIKeyGSSSJLZVEBQEIZ-UHFFFAOYSA-N
XLogP4.32
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 22017564
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[(2S)-2-methylmorpholin-4-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 41247140
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894379
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
N-propyl-2-[4-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperazin-1-yl]acetamide
CID 102603763
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone (CID 25398074) is [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone is Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
The InChIKey is GSSSJLZVEBQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-5-4-6-19(15-17)26-11-13-27(14-12-26)24(28)18-9-10-23-21(16-18)20-7-2-3-8-22(20)25-23/h4-6,9-10,15-16,25H,2-3,7-8,11-14H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone has a molecular weight of 373.50 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone is sourced from PubChem (CID 25398074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).