2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid

C12H19N3O4 — CID 61182335

IUPAC2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H19N3O4/c16-10-8-14(6-4-13-10)12(19)15-5-2-1-3-9(15)7-11(17)18/h9H,1-8H2,(H,13,16)(H,17,18)
InChIKeyICOPSDWNBDMGOS-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.13
Rot. Bonds2

About 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid

2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61182335) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61182335
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H19N3O4/c16-10-8-14(6-4-13-10)12(19)15-5-2-1-3-9(15)7-11(17)18/h9H,1-8H2,(H,13,16)(H,17,18)
InChIKeyICOPSDWNBDMGOS-UHFFFAOYSA-N
XLogP-0.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid (CID 61182335) is 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is ICOPSDWNBDMGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-10-8-14(6-4-13-10)12(19)15-5-2-1-3-9(15)7-11(17)18/h9H,1-8H2,(H,13,16)(H,17,18).
What are the key properties of 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-oxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61182335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).