(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide

C14H20N4O4 — CID 174087375

IUPAC(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide
SMILESO=C1CCC(NC(=O)C2=C(O)[C@H](N3CCNCC3)C2)C(=O)N1
InChIInChI=1S/C14H20N4O4/c19-11-2-1-9(14(22)17-11)16-13(21)8-7-10(12(8)20)18-5-3-15-4-6-18/h9-10,15,20H,1-7H2,(H,16,21)(H,17,19,22)/t9?,10-/m1/s1
InChIKeySFMROCBAUARUBC-QVDQXJPCSA-N
MW308.34 g/mol
LogP-1.60
Rot. Bonds3

About (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide

(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide (PubChem CID 174087375) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide
PubChem CID174087375
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide
SMILESO=C1CCC(NC(=O)C2=C(O)[C@H](N3CCNCC3)C2)C(=O)N1
InChIInChI=1S/C14H20N4O4/c19-11-2-1-9(14(22)17-11)16-13(21)8-7-10(12(8)20)18-5-3-15-4-6-18/h9-10,15,20H,1-7H2,(H,16,21)(H,17,19,22)/t9?,10-/m1/s1
InChIKeySFMROCBAUARUBC-QVDQXJPCSA-N
XLogP-1.60
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
(3R)-N-(2,6-dioxopiperidin-3-yl)-3-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methoxycyclobutene-1-carboxamide
CID 167206998
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
3-(4-methylpiperazin-1-yl)piperidine-2,6-dione;3-piperazin-1-ylpiperidine-2,6-dione
CID 159200633
N-(2,6-dioxopiperidin-3-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 127622640
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
CID 155218191
2-[2-[(2,6-dioxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331238
N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 110475285

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide?
The IUPAC name of (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide (CID 174087375) is (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide.
What is the SMILES notation for (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide?
The canonical SMILES for (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide is O=C1CCC(NC(=O)C2=C(O)[C@H](N3CCNCC3)C2)C(=O)N1.
What is the InChIKey of (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide?
The InChIKey is SFMROCBAUARUBC-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-11-2-1-9(14(22)17-11)16-13(21)8-7-10(12(8)20)18-5-3-15-4-6-18/h9-10,15,20H,1-7H2,(H,16,21)(H,17,19,22)/t9?,10-/m1/s1.
What are the key properties of (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide?
(3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of -1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-piperazin-1-ylcyclobutene-1-carboxamide is sourced from PubChem (CID 174087375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).