2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid

C13H21N3O4 — CID 61370184

IUPAC2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC(=O)N1CCN(C(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C13H21N3O4/c1-10(17)14-5-7-15(8-6-14)13(20)16-4-2-3-11(16)9-12(18)19/h11H,2-9H2,1H3,(H,18,19)
InChIKeyNQWZFIHOYPKFON-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.21
Rot. Bonds2

About 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370184) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370184
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC(=O)N1CCN(C(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C13H21N3O4/c1-10(17)14-5-7-15(8-6-14)13(20)16-4-2-3-11(16)9-12(18)19/h11H,2-9H2,1H3,(H,18,19)
InChIKeyNQWZFIHOYPKFON-UHFFFAOYSA-N
XLogP0.21
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114538816
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
CID 79930590
2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370538
2-[1-(2,4-dimethylpiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 62332214

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61370184) is 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid is CC(=O)N1CCN(C(=O)N2CCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is NQWZFIHOYPKFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-10(17)14-5-7-15(8-6-14)13(20)16-4-2-3-11(16)9-12(18)19/h11H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).