(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

C22H33FN4O2 — CID 98605932

IUPAC(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)C1
InChIInChI=1S/C22H33FN4O2/c1-16-12-17(2)14-27(13-16)21(28)15-25-8-10-26(11-9-25)18(3)22(29)24-20-7-5-4-6-19(20)23/h4-7,16-18H,8-15H2,1-3H3,(H,24,29)/t16-,17-,18-/m1/s1
InChIKeyYLKROSPFZBZSLF-KZNAEPCWSA-N
MW404.53 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide

(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 98605932) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID98605932
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)C1
InChIInChI=1S/C22H33FN4O2/c1-16-12-17(2)14-27(13-16)21(28)15-25-8-10-26(11-9-25)18(3)22(29)24-20-7-5-4-6-19(20)23/h4-7,16-18H,8-15H2,1-3H3,(H,24,29)/t16-,17-,18-/m1/s1
InChIKeyYLKROSPFZBZSLF-KZNAEPCWSA-N
XLogP2.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide with MolForge

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Related Compounds

(2S)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30736001
N-(5-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507499
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
(2S)-N-benzhydryl-2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 30625205
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 51168075
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9322199
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide (CID 98605932) is (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)C1.
What is the InChIKey of (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is YLKROSPFZBZSLF-KZNAEPCWSA-N. The full InChI is InChI=1S/C22H33FN4O2/c1-16-12-17(2)14-27(13-16)21(28)15-25-8-10-26(11-9-25)18(3)22(29)24-20-7-5-4-6-19(20)23/h4-7,16-18H,8-15H2,1-3H3,(H,24,29)/t16-,17-,18-/m1/s1.
What are the key properties of (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide?
(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 98605932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).