(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide

C22H30N6O4 — CID 162809347

IUPAC(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C22H30N6O4/c29-19-16(7-4-8-25-19)26-20(30)18-14-27(21(31)15-5-2-1-3-6-15)11-12-28(18)22(32)17-13-23-9-10-24-17/h9-10,13,15-16,18H,1-8,11-12,14H2,(H,25,29)(H,26,30)/t16-,18+/m1/s1
InChIKeyPLLYBDSMUUXXCM-AEFFLSMTSA-N
MW442.52 g/mol
LogP0.10
Rot. Bonds4

About (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide

(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 162809347) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
PubChem CID162809347
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC Name(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C22H30N6O4/c29-19-16(7-4-8-25-19)26-20(30)18-14-27(21(31)15-5-2-1-3-6-15)11-12-28(18)22(32)17-13-23-9-10-24-17/h9-10,13,15-16,18H,1-8,11-12,14H2,(H,25,29)(H,26,30)/t16-,18+/m1/s1
InChIKeyPLLYBDSMUUXXCM-AEFFLSMTSA-N
XLogP0.10
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 78520017
(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162885419
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 78524400
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162897219

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (CID 162809347) is (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide is O=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)C2CCCCC2)CCN1C(=O)c1cnccn1.
What is the InChIKey of (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is PLLYBDSMUUXXCM-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H30N6O4/c29-19-16(7-4-8-25-19)26-20(30)18-14-27(21(31)15-5-2-1-3-6-15)11-12-28(18)22(32)17-13-23-9-10-24-17/h9-10,13,15-16,18H,1-8,11-12,14H2,(H,25,29)(H,26,30)/t16-,18+/m1/s1.
What are the key properties of (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 162809347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).