[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone

C16H15Cl2N3O — CID 120738818

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H15Cl2N3O/c17-13-4-2-1-3-11(13)15-10-20-7-8-21(15)16(22)12-5-6-19-9-14(12)18/h1-6,9,15,20H,7-8,10H2
InChIKeyMLGVUJGKTZRGDO-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.18
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 120738818) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID120738818
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1Cl)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C16H15Cl2N3O/c17-13-4-2-1-3-11(13)15-10-20-7-8-21(15)16(22)12-5-6-19-9-14(12)18/h1-6,9,15,20H,7-8,10H2
InChIKeyMLGVUJGKTZRGDO-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005
[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
CID 120739264
[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120739715
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 120738818) is [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone is O=C(c1ccncc1Cl)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is MLGVUJGKTZRGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-13-4-2-1-3-11(13)15-10-20-7-8-21(15)16(22)12-5-6-19-9-14(12)18/h1-6,9,15,20H,7-8,10H2.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone has a molecular weight of 336.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 120738818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).