(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one

C21H22FN3O — CID 70203151

IUPAC(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
SMILESO=C1[C@@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1F
InChIInChI=1S/C21H22FN3O/c22-18-7-3-1-5-15(18)9-11-25-12-10-23-20(21(25)26)13-16-14-24-19-8-4-2-6-17(16)19/h1-8,14,20,23-24H,9-13H2/t20-/m1/s1
InChIKeyAXWAIRMUAHZOMF-HXUWFJFHSA-N
MW351.43 g/mol
LogP2.89
Rot. Bonds5

About (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one

(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one (PubChem CID 70203151) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
PubChem CID70203151
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
SMILESO=C1[C@@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1F
InChIInChI=1S/C21H22FN3O/c22-18-7-3-1-5-15(18)9-11-25-12-10-23-20(21(25)26)13-16-14-24-19-8-4-2-6-17(16)19/h1-8,14,20,23-24H,9-13H2/t20-/m1/s1
InChIKeyAXWAIRMUAHZOMF-HXUWFJFHSA-N
XLogP2.89
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 54467062
(3R)-3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-2-one
CID 15391970
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
CID 55215575
5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
CID 74830761
1-[1-[benzyl(methyl)amino]-3-phenylpropan-2-yl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 22906956
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
N-benzyl-2-[(3R)-3-(1H-indol-3-ylmethyl)-2-oxopiperazin-1-yl]-3-phenylbutanamide
CID 67634015
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
The IUPAC name of (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one (CID 70203151) is (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
The canonical SMILES for (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one is O=C1[C@@H](Cc2c[nH]c3ccccc23)NCCN1CCc1ccccc1F.
What is the InChIKey of (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
The InChIKey is AXWAIRMUAHZOMF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-18-7-3-1-5-15(18)9-11-25-12-10-23-20(21(25)26)13-16-14-24-19-8-4-2-6-17(16)19/h1-8,14,20,23-24H,9-13H2/t20-/m1/s1.
What are the key properties of (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one has a molecular weight of 351.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 70203151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).