N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C19H34FN3O2 — CID 165433149

IUPACN-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC1CCN(C(=O)CN2CCC(F)(CNC(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H34FN3O2/c1-15-5-9-23(10-6-15)16(24)13-22-11-7-19(20,8-12-22)14-21-17(25)18(2,3)4/h15H,5-14H2,1-4H3,(H,21,25)
InChIKeyYOXFUXUPMHGHDN-UHFFFAOYSA-N
MW355.50 g/mol
LogP2.21
Rot. Bonds4

About N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165433149) has the molecular formula C19H34FN3O2 and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165433149
Molecular FormulaC19H34FN3O2
Molecular Weight355.50 g/mol
Exact Mass355.26
IUPAC NameN-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC1CCN(C(=O)CN2CCC(F)(CNC(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H34FN3O2/c1-15-5-9-23(10-6-15)16(24)13-22-11-7-19(20,8-12-22)14-21-17(25)18(2,3)4/h15H,5-14H2,1-4H3,(H,21,25)
InChIKeyYOXFUXUPMHGHDN-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
1-[[1-(3,3-Dimethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281021
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
1-(2,2-dimethylpropanoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501765
1-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501889
1-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281027
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788
2-(4-ethylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68185906

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165433149) is N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide is CC1CCN(C(=O)CN2CCC(F)(CNC(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is YOXFUXUPMHGHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34FN3O2/c1-15-5-9-23(10-6-15)16(24)13-22-11-7-19(20,8-12-22)14-21-17(25)18(2,3)4/h15H,5-14H2,1-4H3,(H,21,25).
What are the key properties of N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 355.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165433149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).