2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide

C15H19F3N2O — CID 158389196

IUPAC2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19F3N2O/c1-15(17,18)14(21)19-13-6-8-20(9-7-13)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,19,21)
InChIKeyLGWOGIXNKFPOFT-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.56
Rot. Bonds4

About 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide

2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 158389196) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID158389196
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCC(F)(F)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H19F3N2O/c1-15(17,18)14(21)19-13-6-8-20(9-7-13)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,19,21)
InChIKeyLGWOGIXNKFPOFT-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide (CID 158389196) is 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide is CC(F)(F)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is LGWOGIXNKFPOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-15(17,18)14(21)19-13-6-8-20(9-7-13)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,19,21).
What are the key properties of 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 158389196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).