1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione

C18H25N3O2 — CID 143706143

IUPAC1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione
SMILESCc1cccc(C2(CN)CCC(N3CC(=O)NCC3=O)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-13-3-2-4-14(9-13)18(12-19)7-5-15(6-8-18)21-11-16(22)20-10-17(21)23/h2-4,9,15H,5-8,10-12,19H2,1H3,(H,20,22)
InChIKeyOXEMCAINFNZZMO-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.09
Rot. Bonds3

About 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione

1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione (PubChem CID 143706143) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione
PubChem CID143706143
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione
SMILESCc1cccc(C2(CN)CCC(N3CC(=O)NCC3=O)CC2)c1
InChIInChI=1S/C18H25N3O2/c1-13-3-2-4-14(9-13)18(12-19)7-5-15(6-8-18)21-11-16(22)20-10-17(21)23/h2-4,9,15H,5-8,10-12,19H2,1H3,(H,20,22)
InChIKeyOXEMCAINFNZZMO-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione?
The IUPAC name of 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione (CID 143706143) is 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione?
The canonical SMILES for 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione is Cc1cccc(C2(CN)CCC(N3CC(=O)NCC3=O)CC2)c1.
What is the InChIKey of 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione?
The InChIKey is OXEMCAINFNZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-3-2-4-14(9-13)18(12-19)7-5-15(6-8-18)21-11-16(22)20-10-17(21)23/h2-4,9,15H,5-8,10-12,19H2,1H3,(H,20,22).
What are the key properties of 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione?
1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione has a molecular weight of 315.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-(3-methylphenyl)cyclohexyl]piperazine-2,5-dione is sourced from PubChem (CID 143706143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).