(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C17H17Cl2N3O — CID 167526074

IUPAC(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)nc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C17H17Cl2N3O/c1-21-9-10-22(14(11-21)12-5-3-2-4-6-12)17(23)13-7-8-15(18)20-16(13)19/h2-8,14H,9-11H2,1H3
InChIKeyZGAKYHMYANEMHB-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.52
Rot. Bonds2

About (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 167526074) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID167526074
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(Cl)nc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C17H17Cl2N3O/c1-21-9-10-22(14(11-21)12-5-3-2-4-6-12)17(23)13-7-8-15(18)20-16(13)19/h2-8,14H,9-11H2,1H3
InChIKeyZGAKYHMYANEMHB-UHFFFAOYSA-N
XLogP3.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72920798
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 112802623
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 72863235
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 72939151

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 167526074) is (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Cl)nc2Cl)C(c2ccccc2)C1.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is ZGAKYHMYANEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c1-21-9-10-22(14(11-21)12-5-3-2-4-6-12)17(23)13-7-8-15(18)20-16(13)19/h2-8,14H,9-11H2,1H3.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 350.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 167526074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).