3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole

C16H23N3 — CID 82300147

IUPAC3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
SMILESCCC(c1c[nH]c2ccccc12)N1CCCNCC1
InChIInChI=1S/C16H23N3/c1-2-16(19-10-5-8-17-9-11-19)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,16-18H,2,5,8-11H2,1H3
InChIKeyBOYYTPNMGAWHGZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds3

About 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole

3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole (PubChem CID 82300147) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole.

Molecular Properties

Compound Name3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
PubChem CID82300147
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
SMILESCCC(c1c[nH]c2ccccc12)N1CCCNCC1
InChIInChI=1S/C16H23N3/c1-2-16(19-10-5-8-17-9-11-19)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,16-18H,2,5,8-11H2,1H3
InChIKeyBOYYTPNMGAWHGZ-UHFFFAOYSA-N
XLogP2.91
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
CID 171290931
5-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171273725
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole?
The IUPAC name of 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole (CID 82300147) is 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole.
What is the SMILES notation for 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole?
The canonical SMILES for 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole is CCC(c1c[nH]c2ccccc12)N1CCCNCC1.
What is the InChIKey of 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole?
The InChIKey is BOYYTPNMGAWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-16(19-10-5-8-17-9-11-19)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,16-18H,2,5,8-11H2,1H3.
What are the key properties of 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole?
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole is sourced from PubChem (CID 82300147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).