1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one

C18H25N3O2 — CID 94724136

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCN3CCCNCC3)ccc21
InChIInChI=1S/C18H25N3O2/c1-14(22)21-11-5-15-13-16(3-4-17(15)21)18(23)6-10-20-9-2-7-19-8-12-20/h3-4,13,19H,2,5-12H2,1H3
InChIKeyULECKLUOXZNEFD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.46
Rot. Bonds4

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one (PubChem CID 94724136) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
PubChem CID94724136
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCN3CCCNCC3)ccc21
InChIInChI=1S/C18H25N3O2/c1-14(22)21-11-5-15-13-16(3-4-17(15)21)18(23)6-10-20-9-2-7-19-8-12-20/h3-4,13,19H,2,5-12H2,1H3
InChIKeyULECKLUOXZNEFD-UHFFFAOYSA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one
CID 82549978
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
3-(1,4-diazepan-1-yl)-1-(4-fluoro-3-nitrophenyl)propan-1-one
CID 82136481
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-acetylpiperidin-4-yl)propan-1-one
CID 174296543
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one (CID 94724136) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one is CC(=O)N1CCc2cc(C(=O)CCN3CCCNCC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one?
The InChIKey is ULECKLUOXZNEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(22)21-11-5-15-13-16(3-4-17(15)21)18(23)6-10-20-9-2-7-19-8-12-20/h3-4,13,19H,2,5-12H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 94724136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).