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

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

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Related Compounds

(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162897219
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
(2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide
CID 162810031
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
4-acetyl-1-(2-methoxyacetyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78524418
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191

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).