(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

C13H19N3O5 — CID 81120954

IUPAC(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN1C(=O)CCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1=O
InChIInChI=1S/C13H19N3O5/c1-15-10(17)5-4-9(11(15)18)14-13(21)16-6-2-3-8(7-16)12(19)20/h8-9H,2-7H2,1H3,(H,14,21)(H,19,20)/t8-,9?/m1/s1
InChIKeyIUWWQCLATRUFAO-VEDVMXKPSA-N
MW297.31 g/mol
LogP-0.36
Rot. Bonds2

About (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120954) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120954
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN1C(=O)CCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1=O
InChIInChI=1S/C13H19N3O5/c1-15-10(17)5-4-9(11(15)18)14-13(21)16-6-2-3-8(7-16)12(19)20/h8-9H,2-7H2,1H3,(H,14,21)(H,19,20)/t8-,9?/m1/s1
InChIKeyIUWWQCLATRUFAO-VEDVMXKPSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 116656505
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-[[(1R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122015773
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81120954) is (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is CN1C(=O)CCC(NC(=O)N2CCC[C@@H](C(=O)O)C2)C1=O.
What is the InChIKey of (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IUWWQCLATRUFAO-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15-10(17)5-4-9(11(15)18)14-13(21)16-6-2-3-8(7-16)12(19)20/h8-9H,2-7H2,1H3,(H,14,21)(H,19,20)/t8-,9?/m1/s1.
What are the key properties of (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).