3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one

C23H25N3O2 — CID 70193222

IUPAC3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
SMILESCC1(C)c2cc(OC3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21
InChIInChI=1S/C23H25N3O2/c1-23(2)18-12-15(28-14-7-9-25-10-8-14)4-6-16(18)21(27)20-17-5-3-13(24)11-19(17)26-22(20)23/h3-6,11-12,14,25-26H,7-10,24H2,1-2H3
InChIKeyMIBZMSSZHCUJAQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.75
Rot. Bonds2

About 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one

3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one (PubChem CID 70193222) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
PubChem CID70193222
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
SMILESCC1(C)c2cc(OC3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21
InChIInChI=1S/C23H25N3O2/c1-23(2)18-12-15(28-14-7-9-25-10-8-14)4-6-16(18)21(27)20-17-5-3-13(24)11-19(17)26-22(20)23/h3-6,11-12,14,25-26H,7-10,24H2,1-2H3
InChIKeyMIBZMSSZHCUJAQ-UHFFFAOYSA-N
XLogP3.75
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one (CID 70193222) is 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one is CC1(C)c2cc(OC3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21.
What is the InChIKey of 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one?
The InChIKey is MIBZMSSZHCUJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2)18-12-15(28-14-7-9-25-10-8-14)4-6-16(18)21(27)20-17-5-3-13(24)11-19(17)26-22(20)23/h3-6,11-12,14,25-26H,7-10,24H2,1-2H3.
What are the key properties of 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one?
3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one has a molecular weight of 375.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 70193222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).