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

C22H23FN6O4 — CID 162885419

IUPAC(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C22H23FN6O4/c23-15-4-1-3-14(11-15)21(32)28-9-10-29(22(33)17-12-24-7-8-25-17)18(13-28)20(31)27-16-5-2-6-26-19(16)30/h1,3-4,7-8,11-12,16,18H,2,5-6,9-10,13H2,(H,26,30)(H,27,31)/t16-,18+/m1/s1
InChIKeyDKMZUQKXPQULFG-AEFFLSMTSA-N
MW454.46 g/mol
LogP-0.02
Rot. Bonds4

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

(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 162885419) has the molecular formula C22H23FN6O4 and a molecular weight of 454.46 g/mol. Its IUPAC name is (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
PubChem CID162885419
Molecular FormulaC22H23FN6O4
Molecular Weight454.46 g/mol
Exact Mass454.18
IUPAC Name(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C22H23FN6O4/c23-15-4-1-3-14(11-15)21(32)28-9-10-29(22(33)17-12-24-7-8-25-17)18(13-28)20(31)27-16-5-2-6-26-19(16)30/h1,3-4,7-8,11-12,16,18H,2,5-6,9-10,13H2,(H,26,30)(H,27,31)/t16-,18+/m1/s1
InChIKeyDKMZUQKXPQULFG-AEFFLSMTSA-N
XLogP-0.02
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162897219
4-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 78520017
(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 163171368
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347
1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 162990141
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 78524400
(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
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
(2S)-1-(3-fluorobenzoyl)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912348
(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (CID 162885419) is (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(3-fluorobenzoyl)-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)c2cccc(F)c2)CCN1C(=O)c1cnccn1.
What is the InChIKey of (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is DKMZUQKXPQULFG-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H23FN6O4/c23-15-4-1-3-14(11-15)21(32)28-9-10-29(22(33)17-12-24-7-8-25-17)18(13-28)20(31)27-16-5-2-6-26-19(16)30/h1,3-4,7-8,11-12,16,18H,2,5-6,9-10,13H2,(H,26,30)(H,27,31)/t16-,18+/m1/s1.
What are the key properties of (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 454.46 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 162885419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).