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

C21H23N3O2 — CID 54467062

IUPAC(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
SMILESO=C1[C@@H](Cc2c[nH]c3ccccc23)NCCN1CCc1cccc(O)c1
InChIInChI=1S/C21H23N3O2/c25-17-5-3-4-15(12-17)8-10-24-11-9-22-20(21(24)26)13-16-14-23-19-7-2-1-6-18(16)19/h1-7,12,14,20,22-23,25H,8-11,13H2/t20-/m1/s1
InChIKeyXFQDNUXSRWFLKK-HXUWFJFHSA-N
MW349.43 g/mol
LogP2.46
Rot. Bonds5

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

(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one (PubChem CID 54467062) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
PubChem CID54467062
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
SMILESO=C1[C@@H](Cc2c[nH]c3ccccc23)NCCN1CCc1cccc(O)c1
InChIInChI=1S/C21H23N3O2/c25-17-5-3-4-15(12-17)8-10-24-11-9-22-20(21(24)26)13-16-14-23-19-7-2-1-6-18(16)19/h1-7,12,14,20,22-23,25H,8-11,13H2/t20-/m1/s1
InChIKeyXFQDNUXSRWFLKK-HXUWFJFHSA-N
XLogP2.46
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
(3R)-3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-2-one
CID 15391970
(3R)-1-[2-(2-fluorophenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 70203151
(3S,6S,9S)-3-benzyl-13-[(3-hydroxyphenyl)methyl]-9-(1H-indol-3-ylmethyl)-6,7-dimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone
CID 131889572
(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
CID 18666998
(3R)-3-(1H-indol-3-ylmethyl)-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
CID 15391977
1-[1-[benzyl(methyl)amino]-3-phenylpropan-2-yl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 22906956
N-benzyl-2-[(3R)-3-(1H-indol-3-ylmethyl)-2-oxopiperazin-1-yl]-3-phenylbutanamide
CID 67634015
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
1-(1H-indol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 121305536
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
CID 10245452

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
The IUPAC name of (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one (CID 54467062) is (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
The canonical SMILES for (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one is O=C1[C@@H](Cc2c[nH]c3ccccc23)NCCN1CCc1cccc(O)c1.
What is the InChIKey of (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
The InChIKey is XFQDNUXSRWFLKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-17-5-3-4-15(12-17)8-10-24-11-9-22-20(21(24)26)13-16-14-23-19-7-2-1-6-18(16)19/h1-7,12,14,20,22-23,25H,8-11,13H2/t20-/m1/s1.
What are the key properties of (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one?
(3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one has a molecular weight of 349.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(3-hydroxyphenyl)ethyl]-3-(1H-indol-3-ylmethyl)piperazin-2-one is sourced from PubChem (CID 54467062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).