2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C22H33FN4O2 — CID 9433625

IUPAC2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C22H33FN4O2/c1-16-6-4-7-17(2)27(16)22(29)18(3)26-12-10-25(11-13-26)15-21(28)24-20-9-5-8-19(23)14-20/h5,8-9,14,16-18H,4,6-7,10-13,15H2,1-3H3,(H,24,28)/t16-,17-,18+/m0/s1
InChIKeyNXKFMFJTDVUSMI-OKZBNKHCSA-N
MW404.53 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 9433625) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID9433625
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESC[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C22H33FN4O2/c1-16-6-4-7-17(2)27(16)22(29)18(3)26-12-10-25(11-13-26)15-21(28)24-20-9-5-8-19(23)14-20/h5,8-9,14,16-18H,4,6-7,10-13,15H2,1-3H3,(H,24,28)/t16-,17-,18+/m0/s1
InChIKeyNXKFMFJTDVUSMI-OKZBNKHCSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 51887236
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11931772
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 11943830
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9433591
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9433624
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
2-[4-[2-(cyclooctylamino)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8558855

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 9433625) is 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is NXKFMFJTDVUSMI-OKZBNKHCSA-N. The full InChI is InChI=1S/C22H33FN4O2/c1-16-6-4-7-17(2)27(16)22(29)18(3)26-12-10-25(11-13-26)15-21(28)24-20-9-5-8-19(23)14-20/h5,8-9,14,16-18H,4,6-7,10-13,15H2,1-3H3,(H,24,28)/t16-,17-,18+/m0/s1.
What are the key properties of 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 404.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9433625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).