1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide

C24H31FN4O2 — CID 162219998

IUPAC1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)N1CCC(C(=O)N(Cc2ccc(C(=O)NN)cc2F)c2ccccc2)CC1
InChIInChI=1S/C24H31FN4O2/c1-24(2,3)28-13-11-17(12-14-28)23(31)29(20-7-5-4-6-8-20)16-19-10-9-18(15-21(19)25)22(30)27-26/h4-10,15,17H,11-14,16,26H2,1-3H3,(H,27,30)
InChIKeyZTZKLRCRTJQWQW-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.47
Rot. Bonds5

About 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide

1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 162219998) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID162219998
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C)(C)N1CCC(C(=O)N(Cc2ccc(C(=O)NN)cc2F)c2ccccc2)CC1
InChIInChI=1S/C24H31FN4O2/c1-24(2,3)28-13-11-17(12-14-28)23(31)29(20-7-5-4-6-8-20)16-19-10-9-18(15-21(19)25)22(30)27-26/h4-10,15,17H,11-14,16,26H2,1-3H3,(H,27,30)
InChIKeyZTZKLRCRTJQWQW-UHFFFAOYSA-N
XLogP3.47
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
tert-butyl 7-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamoyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 140894904
4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584094
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)acetamide
CID 126544337
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)morpholine-4-carboxamide
CID 140894938
N-(3-chlorophenyl)-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895144
N-[[2-chloro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151025862
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-methoxyphenyl)thiomorpholine-4-carboxamide
CID 172820030
N-[[2-fluoro-4-[2-(trifluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]phenyl]methyl]-1-methylsulfanyl-N-phenylpiperidine-4-carboxamide
CID 134568628
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-[3-(furan-3-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 140894209
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide (CID 162219998) is 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide is CC(C)(C)N1CCC(C(=O)N(Cc2ccc(C(=O)NN)cc2F)c2ccccc2)CC1.
What is the InChIKey of 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZTZKLRCRTJQWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-24(2,3)28-13-11-17(12-14-28)23(31)29(20-7-5-4-6-8-20)16-19-10-9-18(15-21(19)25)22(30)27-26/h4-10,15,17H,11-14,16,26H2,1-3H3,(H,27,30).
What are the key properties of 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide?
1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 162219998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).