[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone

C16H15Cl2N3O — CID 120802965

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c17-12-3-1-2-11(8-12)15-10-19-6-7-21(15)16(22)14-5-4-13(18)9-20-14/h1-5,8-9,15,19H,6-7,10H2
InChIKeyVJIPSBHGVLSIMT-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.18
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone (PubChem CID 120802965) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
PubChem CID120802965
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cn1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c17-12-3-1-2-11(8-12)15-10-19-6-7-21(15)16(22)14-5-4-13(18)9-20-14/h1-5,8-9,15,19H,6-7,10H2
InChIKeyVJIPSBHGVLSIMT-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

Analyze [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[2-(3-chlorophenyl)piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone
CID 120803031
[2-(3-chlorophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 120803215
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone (CID 120802965) is [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone is O=C(c1ccc(Cl)cn1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone?
The InChIKey is VJIPSBHGVLSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-3-1-2-11(8-12)15-10-19-6-7-21(15)16(22)14-5-4-13(18)9-20-14/h1-5,8-9,15,19H,6-7,10H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-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-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 120802965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).