1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide

C21H25N3O4 — CID 54794066

IUPAC1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)c2ccc(OCCOc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O4/c22-23-20(25)16-10-12-24(13-11-16)21(26)17-6-8-19(9-7-17)28-15-14-27-18-4-2-1-3-5-18/h1-9,16H,10-15,22H2,(H,23,25)
InChIKeyUGMNTRLPPZPPDB-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.99
Rot. Bonds7

About 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide

1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide (PubChem CID 54794066) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
PubChem CID54794066
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)c2ccc(OCCOc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O4/c22-23-20(25)16-10-12-24(13-11-16)21(26)17-6-8-19(9-7-17)28-15-14-27-18-4-2-1-3-5-18/h1-9,16H,10-15,22H2,(H,23,25)
InChIKeyUGMNTRLPPZPPDB-UHFFFAOYSA-N
XLogP1.99
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
1-(4-prop-2-enoxybenzoyl)piperidine-4-carbohydrazide
CID 54794178
1-[4-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793764
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
ethyl 1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate
CID 17231062
[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide (CID 54794066) is 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)c2ccc(OCCOc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide?
The InChIKey is UGMNTRLPPZPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c22-23-20(25)16-10-12-24(13-11-16)21(26)17-6-8-19(9-7-17)28-15-14-27-18-4-2-1-3-5-18/h1-9,16H,10-15,22H2,(H,23,25).
What are the key properties of 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide?
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide has a molecular weight of 383.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54794066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).