N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide

C16H24FN3O — CID 63853756

IUPACN-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
SMILESCNC(C)C1CCCN(CC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H24FN3O/c1-12(18-2)13-5-4-8-20(10-13)11-16(21)19-15-7-3-6-14(17)9-15/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyCHVUGLYRIKODMF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.08
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide

N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide (PubChem CID 63853756) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
PubChem CID63853756
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
SMILESCNC(C)C1CCCN(CC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H24FN3O/c1-12(18-2)13-5-4-8-20(10-13)11-16(21)19-15-7-3-6-14(17)9-15/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyCHVUGLYRIKODMF-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63855022
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 115969204
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8558855
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide (CID 63853756) is N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide is CNC(C)C1CCCN(CC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide?
The InChIKey is CHVUGLYRIKODMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12(18-2)13-5-4-8-20(10-13)11-16(21)19-15-7-3-6-14(17)9-15/h3,6-7,9,12-13,18H,4-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 63853756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).