ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide

C16H25FN2O — CID 142061545

IUPACethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCC.CN1CCC(C(C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O.C2H6/c1-17-8-6-11(7-9-17)13(14(16)18)10-2-4-12(15)5-3-10;1-2/h2-5,11,13H,6-9H2,1H3,(H2,16,18);1-2H3
InChIKeyJAQGMWXEOFSBJV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.76
Rot. Bonds3

About ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide

ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 142061545) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Nameethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID142061545
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Nameethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCC.CN1CCC(C(C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O.C2H6/c1-17-8-6-11(7-9-17)13(14(16)18)10-2-4-12(15)5-3-10;1-2/h2-5,11,13H,6-9H2,1H3,(H2,16,18);1-2H3
InChIKeyJAQGMWXEOFSBJV-UHFFFAOYSA-N
XLogP2.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one
CID 146388976
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
2-(4-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanethioamide
CID 84749327
tert-butyl 4-[2-amino-1-(4-bromophenyl)-2-oxoethyl]piperidine-1-carboxylate
CID 121454648
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;(E)-but-2-enedioic acid
CID 19874421
4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid
CID 67831676
3-[(4-fluorophenyl)-isocyanatomethyl]-1-methylpyrrolidine
CID 105494315
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
CID 106344221

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide (CID 142061545) is ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide is CC.CN1CCC(C(C(N)=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is JAQGMWXEOFSBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.C2H6/c1-17-8-6-11(7-9-17)13(14(16)18)10-2-4-12(15)5-3-10;1-2/h2-5,11,13H,6-9H2,1H3,(H2,16,18);1-2H3.
What are the key properties of ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide?
ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 142061545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).