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

C14H19N3 — CID 102049749

IUPAC4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
SMILESCN1CCCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C14H19N3/c1-16-8-3-9-17(11-10-16)14-5-2-4-13-12(14)6-7-15-13/h2,4-7,15H,3,8-11H2,1H3
InChIKeyREFUEMDQOAFOCF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.31
Rot. Bonds1

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

4-(4-methyl-1,4-diazepan-1-yl)-1H-indole (PubChem CID 102049749) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole.

Molecular Properties

Compound Name4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
PubChem CID102049749
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
SMILESCN1CCCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C14H19N3/c1-16-8-3-9-17(11-10-16)14-5-2-4-13-12(14)6-7-15-13/h2,4-7,15H,3,8-11H2,1H3
InChIKeyREFUEMDQOAFOCF-UHFFFAOYSA-N
XLogP2.31
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
CID 2802639
4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole;dihydrochloride
CID 2729522
2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-phenylethanamine
CID 18993057
N-(cyclohexanecarbonyl)-N-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]cyclohexanecarboxamide;dihydrochloride
CID 70123294
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridine
CID 126518807
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
CID 154765240

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
The IUPAC name of 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole (CID 102049749) is 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole.
What is the SMILES notation for 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
The canonical SMILES for 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole is CN1CCCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
The InChIKey is REFUEMDQOAFOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-8-3-9-17(11-10-16)14-5-2-4-13-12(14)6-7-15-13/h2,4-7,15H,3,8-11H2,1H3.
What are the key properties of 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole?
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole has a molecular weight of 229.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4-diazepan-1-yl)-1H-indole is sourced from PubChem (CID 102049749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).