4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione

C23H31N3O2 — CID 3241930

IUPAC4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione
SMILESO=C1C(c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1
InChIInChI=1S/C23H31N3O2/c27-21-17-26(20-9-5-2-6-10-20)23(28)22(19-11-14-24-15-12-19)25(21)16-13-18-7-3-1-4-8-18/h7,11-12,14-15,20,22H,1-6,8-10,13,16-17H2
InChIKeyFIWLCMQMHSJMAX-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.02
Rot. Bonds5

About 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione

4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione (PubChem CID 3241930) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione
PubChem CID3241930
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione
SMILESO=C1C(c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1
InChIInChI=1S/C23H31N3O2/c27-21-17-26(20-9-5-2-6-10-20)23(28)22(19-11-14-24-15-12-19)25(21)16-13-18-7-3-1-4-8-18/h7,11-12,14-15,20,22H,1-6,8-10,13,16-17H2
InChIKeyFIWLCMQMHSJMAX-UHFFFAOYSA-N
XLogP4.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione (CID 3241930) is 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione is O=C1C(c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione?
The InChIKey is FIWLCMQMHSJMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-21-17-26(20-9-5-2-6-10-20)23(28)22(19-11-14-24-15-12-19)25(21)16-13-18-7-3-1-4-8-18/h7,11-12,14-15,20,22H,1-6,8-10,13,16-17H2.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione?
4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione has a molecular weight of 381.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-4-ylpiperazine-2,5-dione is sourced from PubChem (CID 3241930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).