4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C13H15F3N2O — CID 154575378

IUPAC4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H15F3N2O/c14-11-3-1-10(2-4-11)9-17-12(19)18-7-5-13(15,16)6-8-18/h1-4H,5-9H2,(H,17,19)
InChIKeySWAPJVZRPCOBQM-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.77
Rot. Bonds2

About 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 154575378) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID154575378
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H15F3N2O/c14-11-3-1-10(2-4-11)9-17-12(19)18-7-5-13(15,16)6-8-18/h1-4H,5-9H2,(H,17,19)
InChIKeySWAPJVZRPCOBQM-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72873328
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxamide
CID 166237784
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]azetidine-1-carboxamide
CID 71917764
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 154575378) is 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is SWAPJVZRPCOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-11-3-1-10(2-4-11)9-17-12(19)18-7-5-13(15,16)6-8-18/h1-4H,5-9H2,(H,17,19).
What are the key properties of 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154575378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).