(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C24H38N4O4 — CID 9419644

IUPAC(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H38N4O4/c29-21-19(12-7-13-25-21)26-22(30)20-16-27(23(31)17-8-3-1-4-9-17)14-15-28(20)24(32)18-10-5-2-6-11-18/h17-20H,1-16H2,(H,25,29)(H,26,30)/t19-,20-/m0/s1
InChIKeyDETNVYGRSLTGPR-PMACEKPBSA-N
MW446.59 g/mol
LogP1.58
Rot. Bonds4

About (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 9419644) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID9419644
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H38N4O4/c29-21-19(12-7-13-25-21)26-22(30)20-16-27(23(31)17-8-3-1-4-9-17)14-15-28(20)24(32)18-10-5-2-6-11-18/h17-20H,1-16H2,(H,25,29)(H,26,30)/t19-,20-/m0/s1
InChIKeyDETNVYGRSLTGPR-PMACEKPBSA-N
XLogP1.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
(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
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141
1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide
CID 73148897
4-acetyl-1-(2-methoxyacetyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78524418
(2S)-1-acetyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 11912338
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 9419644) is (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is O=C1NCCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)C1CCCCC1.
What is the InChIKey of (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is DETNVYGRSLTGPR-PMACEKPBSA-N. The full InChI is InChI=1S/C24H38N4O4/c29-21-19(12-7-13-25-21)26-22(30)20-16-27(23(31)17-8-3-1-4-9-17)14-15-28(20)24(32)18-10-5-2-6-11-18/h17-20H,1-16H2,(H,25,29)(H,26,30)/t19-,20-/m0/s1.
What are the key properties of (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 9419644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).