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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Related Compounds

1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 24836635
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one
CID 90887102
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
5-chloro-2-(piperazin-1-ylmethyl)benzoic acid
CID 117220906
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
6-chloro-1-[(4-methylphenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile
CID 71171374
3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one
CID 18669066
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
CID 116565588

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).