(2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C16H15Cl2N3O — CID 879759

IUPAC(2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15Cl2N3O/c17-12-4-5-13(14(18)11-12)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2
InChIKeyLLKNJUWGIBHQFW-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.35
Rot. Bonds2

About (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 879759) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID879759
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name(2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H15Cl2N3O/c17-12-4-5-13(14(18)11-12)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2
InChIKeyLLKNJUWGIBHQFW-UHFFFAOYSA-N
XLogP3.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
Pyrido[2,3-d]pyrimidin-7-one deriv. 13
CID 5328633
7-Amino-3-(2,6-dichlorophenyl)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328700
3-(2,6-Dichlorophenyl)-1-methyl-7-(methylamino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328701
3-(2,6-Dichlorophenyl)-7-{[3-(diethylamino)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328704
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328705
3-(2,6-Dichlorophenyl)-7-{[5-(diethylamino)pentyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328706
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328707
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(4-methylpiperazin-1-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328708
3-(2,6-Dichlorophenyl)-1-methyl-7-{[5-(4-methylpiperazin-1-yl)pentyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328709
1,6-naphthyridin-2(1H)-one deriv. 7n
CID 5328713

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 879759) is (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LLKNJUWGIBHQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-4-5-13(14(18)11-12)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2.
What are the key properties of (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 336.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 879759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).