1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide

C14H24N4O2 — CID 63571967

IUPAC1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESC=CCN(CC=C)CC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C14H24N4O2/c1-3-7-17(8-4-2)11-13(19)18-9-5-12(6-10-18)14(20)16-15/h3-4,12H,1-2,5-11,15H2,(H,16,20)
InChIKeyMBBZFVDVZMBCSZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.11
Rot. Bonds7

About 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide

1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide (PubChem CID 63571967) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide
PubChem CID63571967
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESC=CCN(CC=C)CC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C14H24N4O2/c1-3-7-17(8-4-2)11-13(19)18-9-5-12(6-10-18)14(20)16-15/h3-4,12H,1-2,5-11,15H2,(H,16,20)
InChIKeyMBBZFVDVZMBCSZ-UHFFFAOYSA-N
XLogP-0.11
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.11
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Oxo-4-(4-prop-2-enylpiperazin-1-yl)butanehydrazide
CID 2756310
1-(2-Hydrazinyl-2-oxoethyl)piperidine-4-carbohydrazide
CID 3282644
5-Oxo-5-(4-prop-2-enylpiperazin-1-yl)pentanehydrazide
CID 4740507
1-(2-amino-2-oxoethyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 16909144
1-[2-Oxo-2-(prop-2-enylamino)ethyl]piperidine-4-carboxamide
CID 16909269
1-(2-Hydrazinyl-2-oxoacetyl)piperidine-4-carboxamide
CID 43164057
1-[2-Oxo-2-(prop-2-enylamino)acetyl]piperidine-4-carboxamide
CID 44996008
1-[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 45794524
1-[2-[Methyl(propyl)amino]acetyl]piperidine-4-carbohydrazide
CID 55214794
1-(2-hydrazinyl-2-oxoacetyl)-N-methylpiperidine-4-carboxamide
CID 61440353
2-[1-(2-Hydrazinyl-2-oxoacetyl)piperidin-4-yl]acetamide
CID 61574449
1-[2-[Bis(cyanomethyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63568678

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide (CID 63571967) is 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide is C=CCN(CC=C)CC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide?
The InChIKey is MBBZFVDVZMBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-7-17(8-4-2)11-13(19)18-9-5-12(6-10-18)14(20)16-15/h3-4,12H,1-2,5-11,15H2,(H,16,20).
What are the key properties of 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide?
1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(prop-2-enyl)amino]acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63571967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).