1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide

C25H31N3O4 — CID 55786936

IUPAC1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NNC(=O)COc3cc(C)ccc3C)C2)c1
InChIInChI=1S/C25H31N3O4/c1-16-7-8-19(4)22(13-16)32-15-23(29)26-27-24(30)20-6-5-9-28(14-20)25(31)21-11-17(2)10-18(3)12-21/h7-8,10-13,20H,5-6,9,14-15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyFYMHVHWKTASUNW-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.00
Rot. Bonds5

About 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide

1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide (PubChem CID 55786936) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide
PubChem CID55786936
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NNC(=O)COc3cc(C)ccc3C)C2)c1
InChIInChI=1S/C25H31N3O4/c1-16-7-8-19(4)22(13-16)32-15-23(29)26-27-24(30)20-6-5-9-28(14-20)25(31)21-11-17(2)10-18(3)12-21/h7-8,10-13,20H,5-6,9,14-15H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyFYMHVHWKTASUNW-UHFFFAOYSA-N
XLogP3.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938277
(3R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35819953
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 17199024
(3S)-3-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamoyl]piperidine-1-carboxamide
CID 9085756
N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925440
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide (CID 55786936) is 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NNC(=O)COc3cc(C)ccc3C)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide?
The InChIKey is FYMHVHWKTASUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-16-7-8-19(4)22(13-16)32-15-23(29)26-27-24(30)20-6-5-9-28(14-20)25(31)21-11-17(2)10-18(3)12-21/h7-8,10-13,20H,5-6,9,14-15H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide?
1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide has a molecular weight of 437.54 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 55786936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).