4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide

C24H39N5O4 — CID 73139978

IUPAC4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)NC2CCCCC2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H39N5O4/c30-21-19(12-7-13-25-21)27-22(31)20-16-28(24(33)26-18-10-5-2-6-11-18)14-15-29(20)23(32)17-8-3-1-4-9-17/h17-20H,1-16H2,(H,25,30)(H,26,33)(H,27,31)
InChIKeyNQGYBIILNNNGEB-UHFFFAOYSA-N
MW461.61 g/mol
LogP1.52
Rot. Bonds4

About 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide

4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide (PubChem CID 73139978) has the molecular formula C24H39N5O4 and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
PubChem CID73139978
Molecular FormulaC24H39N5O4
Molecular Weight461.61 g/mol
Exact Mass461.30
IUPAC Name4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)NC2CCCCC2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H39N5O4/c30-21-19(12-7-13-25-21)27-22(31)20-16-28(24(33)26-18-10-5-2-6-11-18)14-15-29(20)23(32)17-8-3-1-4-9-17/h17-20H,1-16H2,(H,25,30)(H,26,33)(H,27,31)
InChIKeyNQGYBIILNNNGEB-UHFFFAOYSA-N
XLogP1.52
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide (CID 73139978) is 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide is O=C1NCCCC1NC(=O)C1CN(C(=O)NC2CCCCC2)CCN1C(=O)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide?
The InChIKey is NQGYBIILNNNGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O4/c30-21-19(12-7-13-25-21)27-22(31)20-16-28(24(33)26-18-10-5-2-6-11-18)14-15-29(20)23(32)17-8-3-1-4-9-17/h17-20H,1-16H2,(H,25,30)(H,26,33)(H,27,31).
What are the key properties of 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide?
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide has a molecular weight of 461.61 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide is sourced from PubChem (CID 73139978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).