(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

C12H19N3O4 — CID 81120603

IUPAC(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C1NCCCC1NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O4/c16-10-9(4-1-5-13-10)14-12(19)15-6-2-3-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,16)(H,14,19)(H,17,18)/t8-,9?/m1/s1
InChIKeyBPAFAWWKSJUCGD-VEDVMXKPSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds2

About (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120603) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120603
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C1NCCCC1NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O4/c16-10-9(4-1-5-13-10)14-12(19)15-6-2-3-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,16)(H,14,19)(H,17,18)/t8-,9?/m1/s1
InChIKeyBPAFAWWKSJUCGD-VEDVMXKPSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120954
4-hydroxy-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55033395
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576
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
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]piperidin-2-one
CID 62093429
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid (CID 81120603) is (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is O=C1NCCCC1NC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BPAFAWWKSJUCGD-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10-9(4-1-5-13-10)14-12(19)15-6-2-3-8(7-15)11(17)18/h8-9H,1-7H2,(H,13,16)(H,14,19)(H,17,18)/t8-,9?/m1/s1.
What are the key properties of (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).