N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide

C17H23F3N2O — CID 146103213

IUPACN-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C1CCN(CC(F)(F)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23F3N2O/c1-12(21-13(2)23)14-7-9-22(10-8-14)11-17(19,20)15-3-5-16(18)6-4-15/h3-6,12,14H,7-11H2,1-2H3,(H,21,23)
InChIKeyLAKYTYDSLIGTFJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.15
Rot. Bonds5

About N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide

N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 146103213) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
PubChem CID146103213
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NC(C)C1CCN(CC(F)(F)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23F3N2O/c1-12(21-13(2)23)14-7-9-22(10-8-14)11-17(19,20)15-3-5-16(18)6-4-15/h3-6,12,14H,7-11H2,1-2H3,(H,21,23)
InChIKeyLAKYTYDSLIGTFJ-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-(2-amino-2-methylpropyl)piperidin-4-yl]ethyl]acetamide;hydrochloride
CID 120849636
1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 118938536
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 138035128
N-[(1S)-1-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-4-yl]ethyl]acetamide
CID 100702776
2-chloro-N-[1-[1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]piperidin-4-yl]ethyl]acetamide
CID 154874831
1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-3-(1-ethylpyrrolidin-3-yl)urea
CID 154763718
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
N-(1-cyclobutylethyl)acetamide
CID 115769098
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide (CID 146103213) is N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide is CC(=O)NC(C)C1CCN(CC(F)(F)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is LAKYTYDSLIGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(21-13(2)23)14-7-9-22(10-8-14)11-17(19,20)15-3-5-16(18)6-4-15/h3-6,12,14H,7-11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide?
N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 328.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 146103213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).