9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

C34H58N4 — CID 155326888

IUPAC9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
SMILESC1CCC2C(C1)C1CC(C3CCC4C(C3)C3CCCCC3N4C3CCNCC3)CCC1N2C1CCNCC1
InChIInChI=1S/C34H58N4/c1-3-7-31-27(5-1)29-21-23(9-11-33(29)37(31)25-13-17-35-18-14-25)24-10-12-34-30(22-24)28-6-2-4-8-32(28)38(34)26-15-19-36-20-16-26/h23-36H,1-22H2
InChIKeyGDLIZBOTYHLBEV-UHFFFAOYSA-N
MW522.87 g/mol
LogP5.81
Rot. Bonds3

About 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (PubChem CID 155326888) has the molecular formula C34H58N4 and a molecular weight of 522.87 g/mol. Its IUPAC name is 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

Molecular Properties

Compound Name9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
PubChem CID155326888
Molecular FormulaC34H58N4
Molecular Weight522.87 g/mol
Exact Mass522.47
IUPAC Name9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
SMILESC1CCC2C(C1)C1CC(C3CCC4C(C3)C3CCCCC3N4C3CCNCC3)CCC1N2C1CCNCC1
InChIInChI=1S/C34H58N4/c1-3-7-31-27(5-1)29-21-23(9-11-33(29)37(31)25-13-17-35-18-14-25)24-10-12-34-30(22-24)28-6-2-4-8-32(28)38(34)26-15-19-36-20-16-26/h23-36H,1-22H2
InChIKeyGDLIZBOTYHLBEV-UHFFFAOYSA-N
XLogP5.81
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.87
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The IUPAC name of 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (CID 155326888) is 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.
What is the SMILES notation for 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The canonical SMILES for 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is C1CCC2C(C1)C1CC(C3CCC4C(C3)C3CCCCC3N4C3CCNCC3)CCC1N2C1CCNCC1.
What is the InChIKey of 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The InChIKey is GDLIZBOTYHLBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N4/c1-3-7-31-27(5-1)29-21-23(9-11-33(29)37(31)25-13-17-35-18-14-25)24-10-12-34-30(22-24)28-6-2-4-8-32(28)38(34)26-15-19-36-20-16-26/h23-36H,1-22H2.
What are the key properties of 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole has a molecular weight of 522.87 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperidin-4-yl-3-(9-piperidin-4-yl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is sourced from PubChem (CID 155326888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).