4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide

C15H20F2N2O — CID 119063968

IUPAC4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H20F2N2O/c1-12-3-2-4-13(11-12)5-8-18-14(20)19-9-6-15(16,17)7-10-19/h2-4,11H,5-10H2,1H3,(H,18,20)
InChIKeyDEMYROSAJJXIFG-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.98
Rot. Bonds3

About 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide

4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 119063968) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID119063968
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H20F2N2O/c1-12-3-2-4-13(11-12)5-8-18-14(20)19-9-6-15(16,17)7-10-19/h2-4,11H,5-10H2,1H3,(H,18,20)
InChIKeyDEMYROSAJJXIFG-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Amperozide
CID 73333
Amperozide Hydrochloride
CID 73334
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(methylamino)piperidine-1-carboxamide
CID 53320128
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
N-(tert-butyl)-N'-phenethylurea
CID 306674
1-Methyl-1-(1-methylpiperidin-4-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 808435
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
CID 5076486
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-phenethyl-urea
CID 22393378
1-Cyclohexyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393436
1-(4-Phenylbutyl)-3-piperidin-4-ylurea
CID 154665761
4-benzyl-N-propylpiperidine-1-carboxamide
CID 6469905
1-Piperidinecarboxamide, 4-phenyl-
CID 204539

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide (CID 119063968) is 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide is Cc1cccc(CCNC(=O)N2CCC(F)(F)CC2)c1.
What is the InChIKey of 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is DEMYROSAJJXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-12-3-2-4-13(11-12)5-8-18-14(20)19-9-6-15(16,17)7-10-19/h2-4,11H,5-10H2,1H3,(H,18,20).
What are the key properties of 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide?
4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 119063968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).