1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide

C40H68N8O4 — CID 14423475

IUPAC1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide
SMILESO=C(N1CCN(C(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)CC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C40H68N8O4/c49-39(47(35-17-9-3-10-18-35)37(43-25-29-51-30-26-43)41-33-13-5-1-6-14-33)45-21-23-46(24-22-45)40(50)48(36-19-11-4-12-20-36)38(44-27-31-52-32-28-44)42-34-15-7-2-8-16-34/h33-36H,1-32H2/b41-37+,42-38+
InChIKeyXJWKVUNURUSQJW-WWUXXHOVSA-N
MW725.04 g/mol
LogP6.16
Rot. Bonds4

About 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide

1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide (PubChem CID 14423475) has the molecular formula C40H68N8O4 and a molecular weight of 725.04 g/mol. Its IUPAC name is 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide
PubChem CID14423475
Molecular FormulaC40H68N8O4
Molecular Weight725.04 g/mol
Exact Mass724.54
IUPAC Name1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide
SMILESO=C(N1CCN(C(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)CC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C40H68N8O4/c49-39(47(35-17-9-3-10-18-35)37(43-25-29-51-30-26-43)41-33-13-5-1-6-14-33)45-21-23-46(24-22-45)40(50)48(36-19-11-4-12-20-36)38(44-27-31-52-32-28-44)42-34-15-7-2-8-16-34/h33-36H,1-32H2/b41-37+,42-38+
InChIKeyXJWKVUNURUSQJW-WWUXXHOVSA-N
XLogP6.16
TPSA96.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.04
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide (CID 14423475) is 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide is O=C(N1CCN(C(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)CC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide?
The InChIKey is XJWKVUNURUSQJW-WWUXXHOVSA-N. The full InChI is InChI=1S/C40H68N8O4/c49-39(47(35-17-9-3-10-18-35)37(43-25-29-51-30-26-43)41-33-13-5-1-6-14-33)45-21-23-46(24-22-45)40(50)48(36-19-11-4-12-20-36)38(44-27-31-52-32-28-44)42-34-15-7-2-8-16-34/h33-36H,1-32H2/b41-37+,42-38+.
What are the key properties of 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide?
1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide has a molecular weight of 725.04 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dicyclohexyl-1-N,4-N-bis(N-cyclohexyl-C-morpholin-4-ylcarbonimidoyl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 14423475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).