N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

C16H24FN3O — CID 115305042

IUPACN-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-16(18-2)7-9-20(10-8-16)12-15(21)19-11-13-5-3-4-6-14(13)17/h3-6,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyNDWPXBICRXLMMY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.52
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (PubChem CID 115305042) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
PubChem CID115305042
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O/c1-16(18-2)7-9-20(10-8-16)12-15(21)19-11-13-5-3-4-6-14(13)17/h3-6,18H,7-12H2,1-2H3,(H,19,21)
InChIKeyNDWPXBICRXLMMY-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728348
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
N-[(2-fluorophenyl)methyl]-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 55519648
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 72884410
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (CID 115305042) is N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is CNC1(C)CCN(CC(=O)NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is NDWPXBICRXLMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-16(18-2)7-9-20(10-8-16)12-15(21)19-11-13-5-3-4-6-14(13)17/h3-6,18H,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115305042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).