cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate

C26H30Cl2N2O2 — CID 142002883

IUPACcyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate
SMILESO=C(OC1CCCCC1)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C26H30Cl2N2O2/c27-20-8-10-23-18(16-20)6-7-19-17-21(28)9-11-24(19)25(23)29-12-14-30(15-13-29)26(31)32-22-4-2-1-3-5-22/h8-11,16-17,22,25H,1-7,12-15H2
InChIKeyTWMAZVJEJBARID-UHFFFAOYSA-N
MW473.44 g/mol
LogP6.27
Rot. Bonds2

About cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate

cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate (PubChem CID 142002883) has the molecular formula C26H30Cl2N2O2 and a molecular weight of 473.44 g/mol. Its IUPAC name is cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate
PubChem CID142002883
Molecular FormulaC26H30Cl2N2O2
Molecular Weight473.44 g/mol
Exact Mass472.17
IUPAC Namecyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate
SMILESO=C(OC1CCCCC1)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C26H30Cl2N2O2/c27-20-8-10-23-18(16-20)6-7-19-17-21(28)9-11-24(19)25(23)29-12-14-30(15-13-29)26(31)32-22-4-2-1-3-5-22/h8-11,16-17,22,25H,1-7,12-15H2
InChIKeyTWMAZVJEJBARID-UHFFFAOYSA-N
XLogP6.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate with MolForge

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Related Compounds

(2R)-4-(13-chloro-6-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-1-cyclohexyloxycarbonylpiperazine-2-carboxylic acid
CID 59880687
pyridin-3-yl 4-[(2S)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazine-1-carboxylate
CID 10717718
tert-butyl 4-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 10697405
tert-butyl 4-[1-[(2R)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-4-yl]piperidine-1-carboxylate
CID 71033303
1-[4-[4-[(2S)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 10766655
1-[4-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 10504414
cyclohexyl (2R)-4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-2-[2-[(5-methylimidazol-1-yl)methyl]-1,1-dioxo-1,4-thiazinane-4-carbonyl]piperazine-1-carboxylate
CID 10312716
1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 10366632
[4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-(cyclohexylamino)methanol
CID 142002623
1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-(1-methylpiperidin-3-yl)ethanone
CID 10599760
tert-butyl 4-(6-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(16),3(8),4,6,12,14-hexaen-2-yl)piperazine-1-carboxylate
CID 142001984
4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-phenylpiperazine-1-carboxamide
CID 10646414

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate?
The IUPAC name of cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate (CID 142002883) is cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate.
What is the SMILES notation for cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate?
The canonical SMILES for cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate is O=C(OC1CCCCC1)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Cl)ccc32)CC1.
What is the InChIKey of cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate?
The InChIKey is TWMAZVJEJBARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N2O2/c27-20-8-10-23-18(16-20)6-7-19-17-21(28)9-11-24(19)25(23)29-12-14-30(15-13-29)26(31)32-22-4-2-1-3-5-22/h8-11,16-17,22,25H,1-7,12-15H2.
What are the key properties of cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate?
cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate has a molecular weight of 473.44 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(6,13-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)piperazine-1-carboxylate is sourced from PubChem (CID 142002883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).