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

C22H29N5O5 — CID 163173098

IUPAC(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C22H29N5O5/c28-19-17(7-4-8-23-19)24-20(29)18-15-26(22(31)25-11-13-32-14-12-25)9-10-27(18)21(30)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,23,28)(H,24,29)/t17-,18+/m1/s1
InChIKeyWEKSJJBZMZDMSH-MSOLQXFVSA-N
MW443.50 g/mol
LogP-0.34
Rot. Bonds3

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

(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 163173098) has the molecular formula C22H29N5O5 and a molecular weight of 443.50 g/mol. Its IUPAC name is (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID163173098
Molecular FormulaC22H29N5O5
Molecular Weight443.50 g/mol
Exact Mass443.22
IUPAC Name(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C22H29N5O5/c28-19-17(7-4-8-23-19)24-20(29)18-15-26(22(31)25-11-13-32-14-12-25)9-10-27(18)21(30)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,23,28)(H,24,29)/t17-,18+/m1/s1
InChIKeyWEKSJJBZMZDMSH-MSOLQXFVSA-N
XLogP-0.34
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-benzoyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139967
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
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
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
(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
(2S)-1-[4-(dimethylamino)benzoyl]-N-[(3R)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 163118923
(3R)-1-N-cyclohexyl-4-(4-methoxybenzoyl)-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 11912207
4-(4-cyanobenzoyl)-1-[4-(dimethylamino)benzoyl]-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73138595

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 163173098) is (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is O=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)c1ccccc1.
What is the InChIKey of (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is WEKSJJBZMZDMSH-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H29N5O5/c28-19-17(7-4-8-23-19)24-20(29)18-15-26(22(31)25-11-13-32-14-12-25)9-10-27(18)21(30)16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,23,28)(H,24,29)/t17-,18+/m1/s1.
What are the key properties of (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 443.50 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 163173098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).