4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid

C12H19N3O4 — CID 175244751

IUPAC4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
SMILESO=C1CCN(C(=O)CN2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C12H19N3O4/c16-10-1-3-14(4-2-10)11(17)9-13-5-7-15(8-6-13)12(18)19/h1-9H2,(H,18,19)
InChIKeySEFNZBMQNWMPCP-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.53
Rot. Bonds2

About 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid

4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid (PubChem CID 175244751) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
PubChem CID175244751
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
SMILESO=C1CCN(C(=O)CN2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C12H19N3O4/c16-10-1-3-14(4-2-10)11(17)9-13-5-7-15(8-6-13)12(18)19/h1-9H2,(H,18,19)
InChIKeySEFNZBMQNWMPCP-UHFFFAOYSA-N
XLogP-0.53
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
CID 141382858
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 55153337
1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)acetyl]piperidin-4-one
CID 102744721
1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one
CID 63634097
1-[3-(4-acetylpiperazin-1-yl)propanoyl]piperidin-4-one
CID 91564845
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
CID 2760467

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid (CID 175244751) is 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid is O=C1CCN(C(=O)CN2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid?
The InChIKey is SEFNZBMQNWMPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10-1-3-14(4-2-10)11(17)9-13-5-7-15(8-6-13)12(18)19/h1-9H2,(H,18,19).
What are the key properties of 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid?
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175244751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).