(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H15BrClN3O — CID 110414643

IUPAC(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15BrClN3O/c17-13-9-12(10-14(18)11-13)16(22)21-7-5-20(6-8-21)15-3-1-2-4-19-15/h1-4,9-11H,5-8H2
InChIKeyCLXGMTPZIMQUOK-UHFFFAOYSA-N
MW380.67 g/mol
LogP3.46
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110414643) has the molecular formula C16H15BrClN3O and a molecular weight of 380.67 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110414643
Molecular FormulaC16H15BrClN3O
Molecular Weight380.67 g/mol
Exact Mass379.01
IUPAC Name(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15BrClN3O/c17-13-9-12(10-14(18)11-13)16(22)21-7-5-20(6-8-21)15-3-1-2-4-19-15/h1-4,9-11H,5-8H2
InChIKeyCLXGMTPZIMQUOK-UHFFFAOYSA-N
XLogP3.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
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[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
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[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53196873
3-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572311
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
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(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
[2-(3-chloroanilino)pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109262201
(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 103826910
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110414643) is (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(Cl)cc(Br)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CLXGMTPZIMQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O/c17-13-9-12(10-14(18)11-13)16(22)21-7-5-20(6-8-21)15-3-1-2-4-19-15/h1-4,9-11H,5-8H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 380.67 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110414643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).