1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide

C15H21N3O3 — CID 54793893

IUPAC1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
SMILESCCOc1cccc(C(=O)N2CCCC(C(=O)NN)C2)c1
InChIInChI=1S/C15H21N3O3/c1-2-21-13-7-3-5-11(9-13)15(20)18-8-4-6-12(10-18)14(19)17-16/h3,5,7,9,12H,2,4,6,8,10,16H2,1H3,(H,17,19)
InChIKeyXFUGUECXLNUBKQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.93
Rot. Bonds4

About 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide

1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide (PubChem CID 54793893) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
PubChem CID54793893
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
SMILESCCOc1cccc(C(=O)N2CCCC(C(=O)NN)C2)c1
InChIInChI=1S/C15H21N3O3/c1-2-21-13-7-3-5-11(9-13)15(20)18-8-4-6-12(10-18)14(19)17-16/h3,5,7,9,12H,2,4,6,8,10,16H2,1H3,(H,17,19)
InChIKeyXFUGUECXLNUBKQ-UHFFFAOYSA-N
XLogP0.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.93
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'}

Analyze 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793952
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
N-(2-aminoethyl)-1-[3-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479842

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide (CID 54793893) is 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide is CCOc1cccc(C(=O)N2CCCC(C(=O)NN)C2)c1.
What is the InChIKey of 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide?
The InChIKey is XFUGUECXLNUBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-13-7-3-5-11(9-13)15(20)18-8-4-6-12(10-18)14(19)17-16/h3,5,7,9,12H,2,4,6,8,10,16H2,1H3,(H,17,19).
What are the key properties of 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide?
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide has a molecular weight of 291.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 54793893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).