N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide

C13H17FN2O — CID 883794

IUPACN-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyLCKAITFZTMQXEX-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.09
Rot. Bonds1

About N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide

N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 883794) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID883794
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyLCKAITFZTMQXEX-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide (CID 883794) is N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is LCKAITFZTMQXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide?
N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 883794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).