(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

C20H18ClN3O2 — CID 53304686

IUPAC(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccc(Cl)cc2)[C@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H18ClN3O2/c21-15-7-5-13(6-8-15)12-24-18(20(26)23-11-19(24)25)9-14-10-22-17-4-2-1-3-16(14)17/h1-8,10,18,22H,9,11-12H2,(H,23,26)/t18-/m0/s1
InChIKeyAEEAOFWHSOLBRE-SFHVURJKSA-N
MW367.84 g/mol
LogP2.89
Rot. Bonds4

About (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (PubChem CID 53304686) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
PubChem CID53304686
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
SMILESO=C1NCC(=O)N(Cc2ccc(Cl)cc2)[C@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H18ClN3O2/c21-15-7-5-13(6-8-15)12-24-18(20(26)23-11-19(24)25)9-14-10-22-17-4-2-1-3-16(14)17/h1-8,10,18,22H,9,11-12H2,(H,23,26)/t18-/m0/s1
InChIKeyAEEAOFWHSOLBRE-SFHVURJKSA-N
XLogP2.89
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-1-[[4-(3-chlorophenoxy)phenyl]methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53304848
(6S)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53304846
(E)-N-hydroxy-3-[4-[[5-(1H-indol-3-ylmethyl)-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 20579458
N-hydroxy-4-[[(2S)-2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 16661457
N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 73301337
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
CID 67855202
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
(5S)-1-acetyl-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 56949628
(12S,15S,18S)-15-(aminomethyl)-18-(3-aminopropyl)-6-chloro-13-ethyl-12-(1H-indol-3-ylmethyl)-2-thia-10,13,16,19-tetrazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaene-11,14,17-trione
CID 129098770
(12S,15S,18S)-15-(4-aminobutyl)-18-(3-aminopropyl)-6-chloro-13-ethyl-12-(1H-indol-3-ylmethyl)-2-thia-10,13,16,19-tetrazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaene-11,14,17-trione
CID 129079497
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973

Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione (CID 53304686) is (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione is O=C1NCC(=O)N(Cc2ccc(Cl)cc2)[C@H]1Cc1c[nH]c2ccccc12.
What is the InChIKey of (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is AEEAOFWHSOLBRE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-7-5-13(6-8-15)12-24-18(20(26)23-11-19(24)25)9-14-10-22-17-4-2-1-3-16(14)17/h1-8,10,18,22H,9,11-12H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione?
(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 367.84 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 53304686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).