4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide

C23H28F2N4O2 — CID 19771997

IUPAC4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)NC)CC1
InChIInChI=1S/C23H28F2N4O2/c1-26-22(30)28-13-11-18(12-14-28)21(17-5-9-20(25)10-6-17)29(23(31)27-2)15-16-3-7-19(24)8-4-16/h3-10,18,21H,11-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyOANZUPVNLARBLO-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.90
Rot. Bonds5

About 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide

4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 19771997) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide
PubChem CID19771997
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)NC)CC1
InChIInChI=1S/C23H28F2N4O2/c1-26-22(30)28-13-11-18(12-14-28)21(17-5-9-20(25)10-6-17)29(23(31)27-2)15-16-3-7-19(24)8-4-16/h3-10,18,21H,11-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyOANZUPVNLARBLO-UHFFFAOYSA-N
XLogP3.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide (CID 19771997) is 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)NC)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is OANZUPVNLARBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-26-22(30)28-13-11-18(12-14-28)21(17-5-9-20(25)10-6-17)29(23(31)27-2)15-16-3-7-19(24)8-4-16/h3-10,18,21H,11-15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide?
4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(methylcarbamoyl)amino]methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 19771997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).