N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide

C26H28N4O4 — CID 55430041

IUPACN'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H28N4O4/c1-34-21-11-9-20(10-12-21)27-17-24(31)28-29-25(32)19-13-15-30(16-14-19)26(33)23-8-4-6-18-5-2-3-7-22(18)23/h2-12,19,27H,13-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyCXOOBJXCTRIVPG-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.96
Rot. Bonds6

About N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide

N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide (PubChem CID 55430041) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
PubChem CID55430041
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H28N4O4/c1-34-21-11-9-20(10-12-21)27-17-24(31)28-29-25(32)19-13-15-30(16-14-19)26(33)23-8-4-6-18-5-2-3-7-22(18)23/h2-12,19,27H,13-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyCXOOBJXCTRIVPG-UHFFFAOYSA-N
XLogP2.96
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
CID 55497462
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
N-(3-methoxyphenyl)-1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881516
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
CID 55629264
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
CID 18140071
1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119945115
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
(2,6-dimethylphenyl) 1-(naphthalene-1-carbonyl)piperidine-4-carboxylate
CID 55430074

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide (CID 55430041) is N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is CXOOBJXCTRIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-34-21-11-9-20(10-12-21)27-17-24(31)28-29-25(32)19-13-15-30(16-14-19)26(33)23-8-4-6-18-5-2-3-7-22(18)23/h2-12,19,27H,13-17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 460.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 55430041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).