3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one

C16H24N4O4 — CID 665083

IUPAC3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1NCCCC1C(=O)N1CCN(C(=O)C2CCCNC2=O)CC1
InChIInChI=1S/C16H24N4O4/c21-13-11(3-1-5-17-13)15(23)19-7-9-20(10-8-19)16(24)12-4-2-6-18-14(12)22/h11-12H,1-10H2,(H,17,21)(H,18,22)
InChIKeyBJHQZIOEAMVFJU-UHFFFAOYSA-N
MW336.39 g/mol
LogP-1.29
Rot. Bonds2

About 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one

3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 665083) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID665083
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1NCCCC1C(=O)N1CCN(C(=O)C2CCCNC2=O)CC1
InChIInChI=1S/C16H24N4O4/c21-13-11(3-1-5-17-13)15(23)19-7-9-20(10-8-19)16(24)12-4-2-6-18-14(12)22/h11-12H,1-10H2,(H,17,21)(H,18,22)
InChIKeyBJHQZIOEAMVFJU-UHFFFAOYSA-N
XLogP-1.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one (CID 665083) is 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one is O=C1NCCCC1C(=O)N1CCN(C(=O)C2CCCNC2=O)CC1.
What is the InChIKey of 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is BJHQZIOEAMVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c21-13-11(3-1-5-17-13)15(23)19-7-9-20(10-8-19)16(24)12-4-2-6-18-14(12)22/h11-12H,1-10H2,(H,17,21)(H,18,22).
What are the key properties of 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one?
3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 336.39 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxopiperidine-3-carbonyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 665083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).