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

C20H27N7O5 — CID 162804829

IUPAC(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C20H27N7O5/c28-17-14(2-1-3-23-17)24-18(29)16-13-26(20(31)25-8-10-32-11-9-25)6-7-27(16)19(30)15-12-21-4-5-22-15/h4-5,12,14,16H,1-3,6-11,13H2,(H,23,28)(H,24,29)/t14-,16+/m1/s1
InChIKeyUASUKOBBTWMHDI-ZBFHGGJFSA-N
MW445.48 g/mol
LogP-1.55
Rot. Bonds3

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

(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 162804829) has the molecular formula C20H27N7O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
PubChem CID162804829
Molecular FormulaC20H27N7O5
Molecular Weight445.48 g/mol
Exact Mass445.21
IUPAC Name(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1cnccn1
InChIInChI=1S/C20H27N7O5/c28-17-14(2-1-3-23-17)24-18(29)16-13-26(20(31)25-8-10-32-11-9-25)6-7-27(16)19(30)15-12-21-4-5-22-15/h4-5,12,14,16H,1-3,6-11,13H2,(H,23,28)(H,24,29)/t14-,16+/m1/s1
InChIKeyUASUKOBBTWMHDI-ZBFHGGJFSA-N
XLogP-1.55
TPSA137.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(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-benzoyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139967
(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163173098
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
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
1-N-(3-methoxyphenyl)-3-N-(2-oxopiperidin-3-yl)-4-(pyrazine-2-carbonyl)piperazine-1,3-dicarboxamide
CID 78524400
(2R)-4-(morpholine-4-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682222
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139128

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide (CID 162804829) is (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(morpholine-4-carbonyl)-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)N2CCOCC2)CCN1C(=O)c1cnccn1.
What is the InChIKey of (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is UASUKOBBTWMHDI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H27N7O5/c28-17-14(2-1-3-23-17)24-18(29)16-13-26(20(31)25-8-10-32-11-9-25)6-7-27(16)19(30)15-12-21-4-5-22-15/h4-5,12,14,16H,1-3,6-11,13H2,(H,23,28)(H,24,29)/t14-,16+/m1/s1.
What are the key properties of (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide?
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 162804829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).