2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C17H18ClN3O — CID 1247596

IUPAC2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN3O/c18-15-6-2-1-5-14(15)13-17(22)21-11-9-20(10-12-21)16-7-3-4-8-19-16/h1-8H,9-13H2
InChIKeyKFCVNNQRWUADBK-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 1247596) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID1247596
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN3O/c18-15-6-2-1-5-14(15)13-17(22)21-11-9-20(10-12-21)16-7-3-4-8-19-16/h1-8H,9-13H2
InChIKeyKFCVNNQRWUADBK-UHFFFAOYSA-N
XLogP2.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741
5-Chloro-2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470742
Pyrido[2,3-d]pyrimidin-7-one deriv. 13
CID 5328633
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. 7o
CID 5328714

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 1247596) is 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1ccccc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KFCVNNQRWUADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-15-6-2-1-5-14(15)13-17(22)21-11-9-20(10-12-21)16-7-3-4-8-19-16/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 315.80 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1247596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).