1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide

C18H30N6O3 — CID 18722795

IUPAC1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
SMILESO=C(NCC(O)Cn1ccnc1)C1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C18H30N6O3/c25-15(12-23-8-6-20-13-23)10-21-17(26)16-11-19-7-9-24(16)18(27)22-14-4-2-1-3-5-14/h6,8,13-16,19,25H,1-5,7,9-12H2,(H,21,26)(H,22,27)
InChIKeyJFGWUJKJNGBNLP-UHFFFAOYSA-N
MW378.48 g/mol
LogP-0.32
Rot. Bonds6

About 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide (PubChem CID 18722795) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
PubChem CID18722795
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
SMILESO=C(NCC(O)Cn1ccnc1)C1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C18H30N6O3/c25-15(12-23-8-6-20-13-23)10-21-17(26)16-11-19-7-9-24(16)18(27)22-14-4-2-1-3-5-14/h6,8,13-16,19,25H,1-5,7,9-12H2,(H,21,26)(H,22,27)
InChIKeyJFGWUJKJNGBNLP-UHFFFAOYSA-N
XLogP-0.32
TPSA111.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide (CID 18722795) is 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide is O=C(NCC(O)Cn1ccnc1)C1CNCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
The InChIKey is JFGWUJKJNGBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c25-15(12-23-8-6-20-13-23)10-21-17(26)16-11-19-7-9-24(16)18(27)22-14-4-2-1-3-5-14/h6,8,13-16,19,25H,1-5,7,9-12H2,(H,21,26)(H,22,27).
What are the key properties of 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide is sourced from PubChem (CID 18722795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).