4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide

C21H34N6O5 — CID 78524288

IUPAC4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)N2CCOCC2)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C21H34N6O5/c28-18-16(2-1-5-23-18)24-19(29)17-14-26(21(31)25-10-12-32-13-11-25)8-9-27(17)20(30)15-3-6-22-7-4-15/h15-17,22H,1-14H2,(H,23,28)(H,24,29)
InChIKeyMRAQYSXKZIHGFA-UHFFFAOYSA-N
MW450.54 g/mol
LogP-1.65
Rot. Bonds3

About 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide

4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 78524288) has the molecular formula C21H34N6O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
PubChem CID78524288
Molecular FormulaC21H34N6O5
Molecular Weight450.54 g/mol
Exact Mass450.26
IUPAC Name4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)N2CCOCC2)CCN1C(=O)C1CCNCC1
InChIInChI=1S/C21H34N6O5/c28-18-16(2-1-5-23-18)24-19(29)17-14-26(21(31)25-10-12-32-13-11-25)8-9-27(17)20(30)15-3-6-22-7-4-15/h15-17,22H,1-14H2,(H,23,28)(H,24,29)
InChIKeyMRAQYSXKZIHGFA-UHFFFAOYSA-N
XLogP-1.65
TPSA123.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
(2R)-4-(morpholine-4-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682222
1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139128
1-(4-methoxybenzoyl)-N-(2-oxopiperidin-3-yl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 73139083
(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162897219
(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
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide (CID 78524288) is 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide is O=C1NCCCC1NC(=O)C1CN(C(=O)N2CCOCC2)CCN1C(=O)C1CCNCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is MRAQYSXKZIHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O5/c28-18-16(2-1-5-23-18)24-19(29)17-14-26(21(31)25-10-12-32-13-11-25)8-9-27(17)20(30)15-3-6-22-7-4-15/h15-17,22H,1-14H2,(H,23,28)(H,24,29).
What are the key properties of 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide?
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of -1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 78524288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).