2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride

C21H31ClN4O2 — CID 57340224

IUPAC2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride
SMILESCl.O=C(OCCN(N1CCCCC1)N1CCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H30N4O2.ClH/c26-21(20-17-18-9-3-4-10-19(18)22-20)27-16-15-25(23-11-5-1-6-12-23)24-13-7-2-8-14-24;/h3-4,9-10,17,22H,1-2,5-8,11-16H2;1H
InChIKeyIRZIQPLCDBTVAF-UHFFFAOYSA-N
MW406.96 g/mol
LogP3.85
Rot. Bonds6

About 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride

2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride (PubChem CID 57340224) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride
PubChem CID57340224
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC Name2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride
SMILESCl.O=C(OCCN(N1CCCCC1)N1CCCCC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H30N4O2.ClH/c26-21(20-17-18-9-3-4-10-19(18)22-20)27-16-15-25(23-11-5-1-6-12-23)24-13-7-2-8-14-24;/h3-4,9-10,17,22H,1-2,5-8,11-16H2;1H
InChIKeyIRZIQPLCDBTVAF-UHFFFAOYSA-N
XLogP3.85
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-nitroethyl 1H-indole-2-carboxylate
CID 142793675
butyl 1H-indole-2-carboxylate
CID 54052397
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1H-indole-2-carboxylate
CID 7722919
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
CID 7713495
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
chloro 1H-indole-2-carboxylate
CID 68813525
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273

Frequently Asked Questions

What is the IUPAC name of 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride?
The IUPAC name of 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride (CID 57340224) is 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride.
What is the SMILES notation for 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride?
The canonical SMILES for 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride is Cl.O=C(OCCN(N1CCCCC1)N1CCCCC1)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride?
The InChIKey is IRZIQPLCDBTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.ClH/c26-21(20-17-18-9-3-4-10-19(18)22-20)27-16-15-25(23-11-5-1-6-12-23)24-13-7-2-8-14-24;/h3-4,9-10,17,22H,1-2,5-8,11-16H2;1H.
What are the key properties of 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride?
2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride has a molecular weight of 406.96 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(piperidin-1-yl)amino]ethyl 1H-indole-2-carboxylate;hydrochloride is sourced from PubChem (CID 57340224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).