1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one

C19H19Cl2N3O — CID 69283365

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one
SMILESO=C(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H19Cl2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,22H,5-8,11-12H2
InChIKeyYGWVXXVXLSXJRS-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.58
Rot. Bonds4

About 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one

1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one (PubChem CID 69283365) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one
PubChem CID69283365
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one
SMILESO=C(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H19Cl2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,22H,5-8,11-12H2
InChIKeyYGWVXXVXLSXJRS-UHFFFAOYSA-N
XLogP3.58
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one (CID 69283365) is 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one is O=C(CN1CCNCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one?
The InChIKey is YGWVXXVXLSXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,22H,5-8,11-12H2.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one?
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one has a molecular weight of 376.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one is sourced from PubChem (CID 69283365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).