(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione

C21H17N3O3 — CID 67581529

IUPAC(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cc4ccccc4[nH]3)[nH]c2=O)cc1
InChIInChI=1S/C21H17N3O3/c1-27-16-8-6-13(7-9-16)10-18-20(25)24-19(21(26)23-18)12-15-11-14-4-2-3-5-17(14)22-15/h2-12,22H,1H3,(H,23,26)(H,24,25)/b18-10-,19-12-
InChIKeyRNADZWRIPFSQIQ-NQWPFYGWSA-N
MW359.39 g/mol
LogP1.21
Rot. Bonds3

About (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione

(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 67581529) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID67581529
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cc4ccccc4[nH]3)[nH]c2=O)cc1
InChIInChI=1S/C21H17N3O3/c1-27-16-8-6-13(7-9-16)10-18-20(25)24-19(21(26)23-18)12-15-11-14-4-2-3-5-17(14)22-15/h2-12,22H,1H3,(H,23,26)(H,24,25)/b18-10-,19-12-
InChIKeyRNADZWRIPFSQIQ-NQWPFYGWSA-N
XLogP1.21
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (CID 67581529) is (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione is COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cc4ccccc4[nH]3)[nH]c2=O)cc1.
What is the InChIKey of (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is RNADZWRIPFSQIQ-NQWPFYGWSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-27-16-8-6-13(7-9-16)10-18-20(25)24-19(21(26)23-18)12-15-11-14-4-2-3-5-17(14)22-15/h2-12,22H,1H3,(H,23,26)(H,24,25)/b18-10-,19-12-.
What are the key properties of (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 359.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 67581529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).