15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene

C23H30ClN3 — CID 123338850

IUPAC15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene
SMILESCCC1CC(C)=NC2=C1c1cc(Cl)ccc1C(C)CC=C2N1CCNCC1
InChIInChI=1S/C23H30ClN3/c1-4-17-13-16(3)26-23-21(27-11-9-25-10-12-27)8-5-15(2)19-7-6-18(24)14-20(19)22(17)23/h6-8,14-15,17,25H,4-5,9-13H2,1-3H3
InChIKeyMPQCUCJVGAGNSL-UHFFFAOYSA-N
MW383.97 g/mol
LogP5.24
Rot. Bonds2

About 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene

15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene (PubChem CID 123338850) has the molecular formula C23H30ClN3 and a molecular weight of 383.97 g/mol. Its IUPAC name is 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene.

Molecular Properties

Compound Name15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene
PubChem CID123338850
Molecular FormulaC23H30ClN3
Molecular Weight383.97 g/mol
Exact Mass383.21
IUPAC Name15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene
SMILESCCC1CC(C)=NC2=C1c1cc(Cl)ccc1C(C)CC=C2N1CCNCC1
InChIInChI=1S/C23H30ClN3/c1-4-17-13-16(3)26-23-21(27-11-9-25-10-12-27)8-5-15(2)19-7-6-18(24)14-20(19)22(17)23/h6-8,14-15,17,25H,4-5,9-13H2,1-3H3
InChIKeyMPQCUCJVGAGNSL-UHFFFAOYSA-N
XLogP5.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.97
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene with MolForge

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Launch Full Analysis

Related Compounds

1-(5-chloro-2-methylphenyl)piperazine
CID 693767
14-chloro-10-methyl-7-(4-methylpiperazin-1-yl)-3-oxa-5-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,7,12,14-hexaene
CID 90841400
14-bromo-15-chloro-4,10-dimethyl-7-piperazin-1-yl-4,5-diaza-2-azoniatricyclo[9.4.0.02,6]pentadeca-1(11),2,5,7,12,14-hexaene
CID 123976957
1-(5-chloro-2-ethylsulfanylphenyl)piperazine
CID 82017709
4,6-dichloro-14-ethyl-8-methyl-11-piperazin-1-yl-1,15-diazatricyclo[10.4.0.02,7]hexadeca-2(7),3,5,10,12,15-hexaene
CID 123855480
(4-chloro-2-piperazin-1-ylphenyl)methanamine
CID 63082137
2-(2-chlorophenyl)-10-ethyl-4,11-dimethyl-7-piperazin-1-yl-1-azabicyclo[6.6.0]tetradeca-2,6,8,13-tetraene
CID 123215854
tert-butyl 2-[1-(15-chloro-5-ethyl-11-methyl-4-oxatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,8,13,15-hexaen-8-yl)azepan-4-yl]propanoate
CID 123358998
5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596470
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
8-chloro-4-ethyl-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21492787

Frequently Asked Questions

What is the IUPAC name of 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene?
The IUPAC name of 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene (CID 123338850) is 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene.
What is the SMILES notation for 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene?
The canonical SMILES for 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene is CCC1CC(C)=NC2=C1c1cc(Cl)ccc1C(C)CC=C2N1CCNCC1.
What is the InChIKey of 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene?
The InChIKey is MPQCUCJVGAGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3/c1-4-17-13-16(3)26-23-21(27-11-9-25-10-12-27)8-5-15(2)19-7-6-18(24)14-20(19)22(17)23/h6-8,14-15,17,25H,4-5,9-13H2,1-3H3.
What are the key properties of 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene?
15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene has a molecular weight of 383.97 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-3-ethyl-5,11-dimethyl-8-piperazin-1-yl-6-azatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),5,8,13,15-hexaene is sourced from PubChem (CID 123338850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).