(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol

C24H26ClN3O2 — CID 142627626

IUPAC(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
SMILESO[C@H](CCN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1)Oc1cccc2[nH]ccc12
InChIInChI=1S/C24H26ClN3O2/c25-17-4-5-18-20(15-27-22(18)14-17)16-7-11-28(12-8-16)13-9-24(29)30-23-3-1-2-21-19(23)6-10-26-21/h1-6,10,14-16,24,26-27,29H,7-9,11-13H2/t24-/m0/s1
InChIKeyUZLCOMZYMDKFSJ-DEOSSOPVSA-N
MW423.94 g/mol
LogP5.27
Rot. Bonds6

About (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol

(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol (PubChem CID 142627626) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
PubChem CID142627626
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
SMILESO[C@H](CCN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1)Oc1cccc2[nH]ccc12
InChIInChI=1S/C24H26ClN3O2/c25-17-4-5-18-20(15-27-22(18)14-17)16-7-11-28(12-8-16)13-9-24(29)30-23-3-1-2-21-19(23)6-10-26-21/h1-6,10,14-16,24,26-27,29H,7-9,11-13H2/t24-/m0/s1
InChIKeyUZLCOMZYMDKFSJ-DEOSSOPVSA-N
XLogP5.27
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-2-ol
CID 22372793
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
bis[3-[4-[4-(cyclopropylmethoxy)-1H-indol-3-yl]piperidin-1-yl]-1-(1H-indol-4-yloxy)propyl] oxalate
CID 57228264
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 18545911
6-chloro-3-[1-[(4-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 18545828
1-[3-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol
CID 70240824
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 21268183
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol?
The IUPAC name of (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol (CID 142627626) is (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol.
What is the SMILES notation for (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol?
The canonical SMILES for (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol is O[C@H](CCN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1)Oc1cccc2[nH]ccc12.
What is the InChIKey of (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol?
The InChIKey is UZLCOMZYMDKFSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c25-17-4-5-18-20(15-27-22(18)14-17)16-7-11-28(12-8-16)13-9-24(29)30-23-3-1-2-21-19(23)6-10-26-21/h1-6,10,14-16,24,26-27,29H,7-9,11-13H2/t24-/m0/s1.
What are the key properties of (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol?
(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol has a molecular weight of 423.94 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol is sourced from PubChem (CID 142627626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).