1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone

C17H21N3O3 — CID 74249344

IUPAC1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
SMILESCC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)CC(O)C1
InChIInChI=1S/C17H21N3O3/c1-13(21)18-8-9-20(11-15(22)10-18)17(23)12-19-7-6-14-4-2-3-5-16(14)19/h2-7,15,22H,8-12H2,1H3
InChIKeyUMYORJPRIFDAFS-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.69
Rot. Bonds2

About 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone

1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone (PubChem CID 74249344) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
PubChem CID74249344
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
SMILESCC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)CC(O)C1
InChIInChI=1S/C17H21N3O3/c1-13(21)18-8-9-20(11-15(22)10-18)17(23)12-19-7-6-14-4-2-3-5-16(14)19/h2-7,15,22H,8-12H2,1H3
InChIKeyUMYORJPRIFDAFS-UHFFFAOYSA-N
XLogP0.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
CID 71805982
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone?
The IUPAC name of 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone (CID 74249344) is 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone.
What is the SMILES notation for 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone?
The canonical SMILES for 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone is CC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)CC(O)C1.
What is the InChIKey of 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone?
The InChIKey is UMYORJPRIFDAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(21)18-8-9-20(11-15(22)10-18)17(23)12-19-7-6-14-4-2-3-5-16(14)19/h2-7,15,22H,8-12H2,1H3.
What are the key properties of 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone?
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone has a molecular weight of 315.37 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone is sourced from PubChem (CID 74249344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).