1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide

C24H28N4O5 — CID 46697647

IUPAC1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H28N4O5/c1-3-31-18-8-10-19(11-9-18)32-16(2)22(29)26-27-23(30)17-12-14-28(15-13-17)24-25-20-6-4-5-7-21(20)33-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyNWUAIMLKEMNRJG-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.06
Rot. Bonds7

About 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide

1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide (PubChem CID 46697647) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide
PubChem CID46697647
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H28N4O5/c1-3-31-18-8-10-19(11-9-18)32-16(2)22(29)26-27-23(30)17-12-14-28(15-13-17)24-25-20-6-4-5-7-21(20)33-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyNWUAIMLKEMNRJG-UHFFFAOYSA-N
XLogP3.06
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 46698174
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43006813
[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 35738120
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
1-(1,3-benzoxazol-2-yl)-N-(1-ethylpiperidin-4-yl)piperidine-4-carboxamide
CID 42014957
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide (CID 46697647) is 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide?
The InChIKey is NWUAIMLKEMNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-3-31-18-8-10-19(11-9-18)32-16(2)22(29)26-27-23(30)17-12-14-28(15-13-17)24-25-20-6-4-5-7-21(20)33-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide?
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide has a molecular weight of 452.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 46697647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).