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

C23H24ClN3O — CID 37253115

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H24ClN3O/c24-19-9-2-4-11-21(19)26-12-14-27(15-13-26)23(28)18-8-5-7-17-16-6-1-3-10-20(16)25-22(17)18/h2,4-5,7-9,11,25H,1,3,6,10,12-15H2
InChIKeyISAYNSROIVASRA-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.66
Rot. Bonds2

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

[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone (PubChem CID 37253115) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
PubChem CID37253115
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
SMILESO=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H24ClN3O/c24-19-9-2-4-11-21(19)26-12-14-27(15-13-26)23(28)18-8-5-7-17-16-6-1-3-10-20(16)25-22(17)18/h2,4-5,7-9,11,25H,1,3,6,10,12-15H2
InChIKeyISAYNSROIVASRA-UHFFFAOYSA-N
XLogP4.66
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.66
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-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 46581675
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 46581850
4-[4-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720896
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 154840539
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 90651430
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 146090949
3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70761535
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34989521
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 135110871

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone (CID 37253115) is [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone is O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
The InChIKey is ISAYNSROIVASRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-19-9-2-4-11-21(19)26-12-14-27(15-13-26)23(28)18-8-5-7-17-16-6-1-3-10-20(16)25-22(17)18/h2,4-5,7-9,11,25H,1,3,6,10,12-15H2.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone has a molecular weight of 393.92 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone is sourced from PubChem (CID 37253115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).