(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one

C26H28N4O3 — CID 18666998

IUPAC(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(CCc3ccccc3)C(=O)[C@H]2Cc2c[nH]c3ccccc23)N1
InChIInChI=1S/C26H28N4O3/c31-24-11-10-22(28-24)25(32)30-15-14-29(13-12-18-6-2-1-3-7-18)26(33)23(30)16-19-17-27-21-9-5-4-8-20(19)21/h1-9,17,22-23,27H,10-16H2,(H,28,31)/t22-,23-/m1/s1
InChIKeyXZVPNFODQGRZAF-DHIUTWEWSA-N
MW444.54 g/mol
LogP2.27
Rot. Bonds6

About (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one

(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one (PubChem CID 18666998) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
PubChem CID18666998
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(CCc3ccccc3)C(=O)[C@H]2Cc2c[nH]c3ccccc23)N1
InChIInChI=1S/C26H28N4O3/c31-24-11-10-22(28-24)25(32)30-15-14-29(13-12-18-6-2-1-3-7-18)26(33)23(30)16-19-17-27-21-9-5-4-8-20(19)21/h1-9,17,22-23,27H,10-16H2,(H,28,31)/t22-,23-/m1/s1
InChIKeyXZVPNFODQGRZAF-DHIUTWEWSA-N
XLogP2.27
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one with MolForge

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Related Compounds

(3R)-3-(1H-indol-3-ylmethyl)-4-[(2S)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one
CID 15391977
(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
4-dodecanoyl-3-ethyl-1-[2-(1H-indol-3-yl)ethyl]piperazin-2-one
CID 19837026
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
(3R)-3-(1H-indol-3-ylmethyl)-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-2-one
CID 15391970
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 90443800
3-(1H-indol-3-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid;hydrate
CID 70535842
(3R,4S)-4-[benzyl(methyl)amino]-3-(1-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
CID 118638558

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one (CID 18666998) is (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one is O=C1CC[C@H](C(=O)N2CCN(CCc3ccccc3)C(=O)[C@H]2Cc2c[nH]c3ccccc23)N1.
What is the InChIKey of (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is XZVPNFODQGRZAF-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-24-11-10-22(28-24)25(32)30-15-14-29(13-12-18-6-2-1-3-7-18)26(33)23(30)16-19-17-27-21-9-5-4-8-20(19)21/h1-9,17,22-23,27H,10-16H2,(H,28,31)/t22-,23-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one?
(3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 444.54 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-ylmethyl)-4-[(2R)-5-oxopyrrolidine-2-carbonyl]-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 18666998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).