(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide

C19H24N4O5 — CID 124958127

IUPAC(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)CCN2C(=O)COCC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N4O5/c20-19(27)15-11-22(9-8-21(15)10-14-4-2-1-3-5-14)16(24)6-7-23-17(25)12-28-13-18(23)26/h1-5,15H,6-13H2,(H2,20,27)/t15-/m1/s1
InChIKeyGEALZSFZKZVQIJ-OAHLLOKOSA-N
MW388.42 g/mol
LogP-1.04
Rot. Bonds6

About (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide

(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 124958127) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide
PubChem CID124958127
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)CCN2C(=O)COCC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N4O5/c20-19(27)15-11-22(9-8-21(15)10-14-4-2-1-3-5-14)16(24)6-7-23-17(25)12-28-13-18(23)26/h1-5,15H,6-13H2,(H2,20,27)/t15-/m1/s1
InChIKeyGEALZSFZKZVQIJ-OAHLLOKOSA-N
XLogP-1.04
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
CID 125008674
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124997614
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658819
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide (CID 124958127) is (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)CCN2C(=O)COCC2=O)CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is GEALZSFZKZVQIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O5/c20-19(27)15-11-22(9-8-21(15)10-14-4-2-1-3-5-14)16(24)6-7-23-17(25)12-28-13-18(23)26/h1-5,15H,6-13H2,(H2,20,27)/t15-/m1/s1.
What are the key properties of (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide?
(2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of -1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-4-[3-(3,5-dioxomorpholin-4-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 124958127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).