6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one

C20H22ClN3O — CID 164627977

IUPAC6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)ccc2CC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22ClN3O/c21-17-5-4-15-13-16(20(25)18(15)14-17)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14,16H,6,8-13H2
InChIKeyBODKZKXTTLFUIE-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.30
Rot. Bonds4

About 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one

6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one (PubChem CID 164627977) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
PubChem CID164627977
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)ccc2CC1CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22ClN3O/c21-17-5-4-15-13-16(20(25)18(15)14-17)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14,16H,6,8-13H2
InChIKeyBODKZKXTTLFUIE-UHFFFAOYSA-N
XLogP3.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one
CID 164609529
(2S)-2-benzyl-6-chloro-2,3-dihydroinden-1-one
CID 125481885
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
CID 140837611
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-(4-chlorophenyl)-1-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-one
CID 91345615

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one (CID 164627977) is 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one is O=C1c2cc(Cl)ccc2CC1CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
The InChIKey is BODKZKXTTLFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-17-5-4-15-13-16(20(25)18(15)14-17)6-8-23-9-11-24(12-10-23)19-3-1-2-7-22-19/h1-5,7,14,16H,6,8-13H2.
What are the key properties of 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one?
6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one has a molecular weight of 355.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 164627977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).