5-(1,4-diazepan-1-yl)-1H-indole

C13H17N3 — CID 83972060

IUPAC5-(1,4-diazepan-1-yl)-1H-indole
SMILESc1cc2cc(N3CCCNCC3)ccc2[nH]1
InChIInChI=1S/C13H17N3/c1-5-14-7-9-16(8-1)12-2-3-13-11(10-12)4-6-15-13/h2-4,6,10,14-15H,1,5,7-9H2
InChIKeySPQXCFILOSNUBP-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.97
Rot. Bonds1

About 5-(1,4-diazepan-1-yl)-1H-indole

5-(1,4-diazepan-1-yl)-1H-indole (PubChem CID 83972060) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-yl)-1H-indole.

Molecular Properties

Compound Name5-(1,4-diazepan-1-yl)-1H-indole
PubChem CID83972060
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(1,4-diazepan-1-yl)-1H-indole
SMILESc1cc2cc(N3CCCNCC3)ccc2[nH]1
InChIInChI=1S/C13H17N3/c1-5-14-7-9-16(8-1)12-2-3-13-11(10-12)4-6-15-13/h2-4,6,10,14-15H,1,5,7-9H2
InChIKeySPQXCFILOSNUBP-UHFFFAOYSA-N
XLogP1.97
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83972067
CID 134907069
CID 134907069
5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
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1-(1-benzothiophen-5-yl)-1,4-diazepane
CID 65451922
5-(1,4-diazepan-1-ylsulfonyl)-1H-indole
CID 53213438
7-piperazin-1-yl-1H-quinoline-4-thione
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6-(1,4-diazepan-1-yl)quinoline
CID 62635992
tert-butyl formate;6-piperazin-1-yl-1H-indole
CID 175263131
3-(1,4-diazepan-1-yl)aniline
CID 22478590
5-piperazin-1-yl-1,3-dihydrobenzimidazole-2-thione
CID 18792799
5-piperazin-1-yloxy-1H-indole
CID 57025171
2-(1H-indol-5-yl)-3,4-dihydro-1H-isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-yl)-1H-indole?
The IUPAC name of 5-(1,4-diazepan-1-yl)-1H-indole (CID 83972060) is 5-(1,4-diazepan-1-yl)-1H-indole.
What is the SMILES notation for 5-(1,4-diazepan-1-yl)-1H-indole?
The canonical SMILES for 5-(1,4-diazepan-1-yl)-1H-indole is c1cc2cc(N3CCCNCC3)ccc2[nH]1.
What is the InChIKey of 5-(1,4-diazepan-1-yl)-1H-indole?
The InChIKey is SPQXCFILOSNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-5-14-7-9-16(8-1)12-2-3-13-11(10-12)4-6-15-13/h2-4,6,10,14-15H,1,5,7-9H2.
What are the key properties of 5-(1,4-diazepan-1-yl)-1H-indole?
5-(1,4-diazepan-1-yl)-1H-indole has a molecular weight of 215.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-yl)-1H-indole is sourced from PubChem (CID 83972060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).