4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one

C20H23ClN4O2 — CID 59285386

IUPAC4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one
SMILESCN1C2CCC1c1c(n(CC(=O)N3CCNC(=O)C3)c3ccc(Cl)cc13)C2
InChIInChI=1S/C20H23ClN4O2/c1-23-13-3-5-16(23)20-14-8-12(21)2-4-15(14)25(17(20)9-13)11-19(27)24-7-6-22-18(26)10-24/h2,4,8,13,16H,3,5-7,9-11H2,1H3,(H,22,26)
InChIKeyIUZVYARXJQZUQB-UHFFFAOYSA-N
MW386.88 g/mol
LogP1.94
Rot. Bonds2

About 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one

4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one (PubChem CID 59285386) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one
PubChem CID59285386
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one
SMILESCN1C2CCC1c1c(n(CC(=O)N3CCNC(=O)C3)c3ccc(Cl)cc13)C2
InChIInChI=1S/C20H23ClN4O2/c1-23-13-3-5-16(23)20-14-8-12(21)2-4-15(14)25(17(20)9-13)11-19(27)24-7-6-22-18(26)10-24/h2,4,8,13,16H,3,5-7,9-11H2,1H3,(H,22,26)
InChIKeyIUZVYARXJQZUQB-UHFFFAOYSA-N
XLogP1.94
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one (CID 59285386) is 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one is CN1C2CCC1c1c(n(CC(=O)N3CCNC(=O)C3)c3ccc(Cl)cc13)C2.
What is the InChIKey of 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one?
The InChIKey is IUZVYARXJQZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-23-13-3-5-16(23)20-14-8-12(21)2-4-15(14)25(17(20)9-13)11-19(27)24-7-6-22-18(26)10-24/h2,4,8,13,16H,3,5-7,9-11H2,1H3,(H,22,26).
What are the key properties of 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one?
4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one has a molecular weight of 386.88 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 59285386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).