1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C24H36Cl2N4O3 — CID 90232239

IUPAC1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCC1(CC)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2C(=O)N2CCOCC2)c2cc(Cl)ccc21.Cl
InChIInChI=1S/C24H35ClN4O3.ClH/c1-4-24(5-2)16-29(20-12-18(25)6-7-19(20)24)22(30)15-28-14-17(3)26-13-21(28)23(31)27-8-10-32-11-9-27;/h6-7,12,17,21,26H,4-5,8-11,13-16H2,1-3H3;1H/t17-,21-;/m1./s1
InChIKeyVJOOKCSOTZSUQX-AYCGRUCCSA-N
MW499.48 g/mol
LogP2.69
Rot. Bonds5

About 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride

1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 90232239) has the molecular formula C24H36Cl2N4O3 and a molecular weight of 499.48 g/mol. Its IUPAC name is 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID90232239
Molecular FormulaC24H36Cl2N4O3
Molecular Weight499.48 g/mol
Exact Mass498.22
IUPAC Name1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCC1(CC)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2C(=O)N2CCOCC2)c2cc(Cl)ccc21.Cl
InChIInChI=1S/C24H35ClN4O3.ClH/c1-4-24(5-2)16-29(20-12-18(25)6-7-19(20)24)22(30)15-28-14-17(3)26-13-21(28)23(31)27-8-10-32-11-9-27;/h6-7,12,17,21,26H,4-5,8-11,13-16H2,1-3H3;1H/t17-,21-;/m1./s1
InChIKeyVJOOKCSOTZSUQX-AYCGRUCCSA-N
XLogP2.69
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 90232239) is 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride is CCC1(CC)CN(C(=O)CN2C[C@@H](C)NC[C@@H]2C(=O)N2CCOCC2)c2cc(Cl)ccc21.Cl.
What is the InChIKey of 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is VJOOKCSOTZSUQX-AYCGRUCCSA-N. The full InChI is InChI=1S/C24H35ClN4O3.ClH/c1-4-24(5-2)16-29(20-12-18(25)6-7-19(20)24)22(30)15-28-14-17(3)26-13-21(28)23(31)27-8-10-32-11-9-27;/h6-7,12,17,21,26H,4-5,8-11,13-16H2,1-3H3;1H/t17-,21-;/m1./s1.
What are the key properties of 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 499.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3,3-diethyl-2H-indol-1-yl)-2-[(2R,5R)-5-methyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 90232239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).