1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide

C13H22N4O3 — CID 63578835

IUPAC1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CN2CCCCC2=O)CC1
InChIInChI=1S/C13H22N4O3/c14-15-13(20)10-4-7-16(8-5-10)12(19)9-17-6-2-1-3-11(17)18/h10H,1-9,14H2,(H,15,20)
InChIKeyDRCXUJWNPSZXLK-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.77
Rot. Bonds3

About 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide

1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide (PubChem CID 63578835) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
PubChem CID63578835
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CN2CCCCC2=O)CC1
InChIInChI=1S/C13H22N4O3/c14-15-13(20)10-4-7-16(8-5-10)12(19)9-17-6-2-1-3-11(17)18/h10H,1-9,14H2,(H,15,20)
InChIKeyDRCXUJWNPSZXLK-UHFFFAOYSA-N
XLogP-0.77
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
N-(2-aminoethyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxamide
CID 119481485
N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide
CID 119482275
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide (CID 63578835) is 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is DRCXUJWNPSZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-15-13(20)10-4-7-16(8-5-10)12(19)9-17-6-2-1-3-11(17)18/h10H,1-9,14H2,(H,15,20).
What are the key properties of 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide?
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 282.34 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63578835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).