(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride

C21H24ClN3O — CID 70203042

IUPAC(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1[C@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1
InChIInChI=1S/C21H23N3O.ClH/c25-21-20(14-17-15-23-19-9-5-4-8-18(17)19)22-11-13-24(21)12-10-16-6-2-1-3-7-16;/h1-9,15,20,22-23H,10-14H2;1H/t20-;/m0./s1
InChIKeyXQTVGLHPZUDUCJ-BDQAORGHSA-N
MW369.90 g/mol
LogP3.18
Rot. Bonds5

About (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride

(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride (PubChem CID 70203042) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
PubChem CID70203042
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1[C@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1
InChIInChI=1S/C21H23N3O.ClH/c25-21-20(14-17-15-23-19-9-5-4-8-18(17)19)22-11-13-24(21)12-10-16-6-2-1-3-7-16;/h1-9,15,20,22-23H,10-14H2;1H/t20-;/m0./s1
InChIKeyXQTVGLHPZUDUCJ-BDQAORGHSA-N
XLogP3.18
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-2-one
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(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 70203151
1-[1-[benzyl(methyl)amino]-3-phenylpropan-2-yl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 22906956
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
CID 141062429
(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
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(3R)-3-(1H-indol-3-ylmethyl)-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
CID 15391977
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
N-benzyl-2-[(3R)-3-(1H-indol-3-ylmethyl)-2-oxopiperazin-1-yl]-3-phenylbutanamide
CID 67634015
4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
CID 10245452
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride?
The IUPAC name of (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride (CID 70203042) is (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride is Cl.O=C1[C@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1.
What is the InChIKey of (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride?
The InChIKey is XQTVGLHPZUDUCJ-BDQAORGHSA-N. The full InChI is InChI=1S/C21H23N3O.ClH/c25-21-20(14-17-15-23-19-9-5-4-8-18(17)19)22-11-13-24(21)12-10-16-6-2-1-3-7-16;/h1-9,15,20,22-23H,10-14H2;1H/t20-;/m0./s1.
What are the key properties of (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride?
(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 70203042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).