1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide

C16H21N3O3 — CID 54794178

IUPAC1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
SMILESC=CCOc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-2-11-22-14-5-3-13(4-6-14)16(21)19-9-7-12(8-10-19)15(20)18-17/h2-6,12H,1,7-11,17H2,(H,18,20)
InChIKeyZDLSWASBHRFLRE-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.09
Rot. Bonds5

About 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide

1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide (PubChem CID 54794178) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
PubChem CID54794178
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
SMILESC=CCOc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1
InChIInChI=1S/C16H21N3O3/c1-2-11-22-14-5-3-13(4-6-14)16(21)19-9-7-12(8-10-19)15(20)18-17/h2-6,12H,1,7-11,17H2,(H,18,20)
InChIKeyZDLSWASBHRFLRE-UHFFFAOYSA-N
XLogP1.09
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.09
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

1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
1-(2,4-diethoxybenzoyl)piperidine-4-carbohydrazide
CID 54794152
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-prop-2-enoxyphenyl)methanone
CID 131690314
[3-(1-aminoethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119596081
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579129
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981

Frequently Asked Questions

What is the IUPAC name of 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide (CID 54794178) is 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide is C=CCOc1ccc(C(=O)N2CCC(C(=O)NN)CC2)cc1.
What is the InChIKey of 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide?
The InChIKey is ZDLSWASBHRFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-11-22-14-5-3-13(4-6-14)16(21)19-9-7-12(8-10-19)15(20)18-17/h2-6,12H,1,7-11,17H2,(H,18,20).
What are the key properties of 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide?
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide has a molecular weight of 303.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 54794178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).