N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide

C23H25F3N4O4 — CID 55497462

IUPACN'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H25F3N4O4/c1-34-19-8-6-18(7-9-19)27-14-20(31)28-29-21(32)15-10-12-30(13-11-15)22(33)16-2-4-17(5-3-16)23(24,25)26/h2-9,15,27H,10-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyBPQHKXZAAXTNRQ-UHFFFAOYSA-N
MW478.47 g/mol
LogP2.83
Rot. Bonds6

About N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide

N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide (PubChem CID 55497462) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
PubChem CID55497462
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H25F3N4O4/c1-34-19-8-6-18(7-9-19)27-14-20(31)28-29-21(32)15-10-12-30(13-11-15)22(33)16-2-4-17(5-3-16)23(24,25)26/h2-9,15,27H,10-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyBPQHKXZAAXTNRQ-UHFFFAOYSA-N
XLogP2.83
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 52.83
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-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
CID 55430041
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
1-[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42881229
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
CID 18140071
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide (CID 55497462) is N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide?
The InChIKey is BPQHKXZAAXTNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-34-19-8-6-18(7-9-19)27-14-20(31)28-29-21(32)15-10-12-30(13-11-15)22(33)16-2-4-17(5-3-16)23(24,25)26/h2-9,15,27H,10-14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide has a molecular weight of 478.47 g/mol, XLogP of 2.83, 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-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 55497462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).