1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone

C25H30N2O2 — CID 45381456

IUPAC1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCCN1CCCCCC1
InChIInChI=1S/C25H30N2O2/c1-18(28)20-8-10-24-22(16-20)23-17-21(19(2)29)9-11-25(23)27(24)15-7-14-26-12-5-3-4-6-13-26/h8-11,16-17H,3-7,12-15H2,1-2H3
InChIKeyFRYZRXGZLLNTDZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.47
Rot. Bonds6

About 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone

1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone (PubChem CID 45381456) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone
PubChem CID45381456
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCCN1CCCCCC1
InChIInChI=1S/C25H30N2O2/c1-18(28)20-8-10-24-22(16-20)23-17-21(19(2)29)9-11-25(23)27(24)15-7-14-26-12-5-3-4-6-13-26/h8-11,16-17H,3-7,12-15H2,1-2H3
InChIKeyFRYZRXGZLLNTDZ-UHFFFAOYSA-N
XLogP5.47
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone?
The IUPAC name of 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone (CID 45381456) is 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone is CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCCN1CCCCCC1.
What is the InChIKey of 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone?
The InChIKey is FRYZRXGZLLNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18(28)20-8-10-24-22(16-20)23-17-21(19(2)29)9-11-25(23)27(24)15-7-14-26-12-5-3-4-6-13-26/h8-11,16-17H,3-7,12-15H2,1-2H3.
What are the key properties of 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone?
1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone has a molecular weight of 390.53 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone is sourced from PubChem (CID 45381456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).