3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid

C14H23N3O4 — CID 107437161

IUPAC3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C2CNC(=O)CN2)C1
InChIInChI=1S/C14H23N3O4/c1-9(5-13(19)20)10-3-2-4-17(8-10)14(21)11-6-16-12(18)7-15-11/h9-11,15H,2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyMHVNXHJVDRHZQO-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.58
Rot. Bonds4

About 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid

3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 107437161) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID107437161
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C2CNC(=O)CN2)C1
InChIInChI=1S/C14H23N3O4/c1-9(5-13(19)20)10-3-2-4-17(8-10)14(21)11-6-16-12(18)7-15-11/h9-11,15H,2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyMHVNXHJVDRHZQO-UHFFFAOYSA-N
XLogP-0.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
CID 103870702
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81042258

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid (CID 107437161) is 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)C2CNC(=O)CN2)C1.
What is the InChIKey of 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is MHVNXHJVDRHZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9(5-13(19)20)10-3-2-4-17(8-10)14(21)11-6-16-12(18)7-15-11/h9-11,15H,2-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 297.36 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 107437161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).