2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C17H26N4O2 — CID 95348858

IUPAC2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H26N4O2/c1-13(22)20-8-4-3-6-15(20)10-17(23)21-9-5-7-16(21)14-11-18-19(2)12-14/h11-12,15-16H,3-10H2,1-2H3/t15-,16-/m0/s1
InChIKeyNLXXPPBDCWZLPS-HOTGVXAUSA-N
MW318.42 g/mol
LogP1.87
Rot. Bonds3

About 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95348858) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95348858
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H26N4O2/c1-13(22)20-8-4-3-6-15(20)10-17(23)21-9-5-7-16(21)14-11-18-19(2)12-14/h11-12,15-16H,3-10H2,1-2H3/t15-,16-/m0/s1
InChIKeyNLXXPPBDCWZLPS-HOTGVXAUSA-N
XLogP1.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
CID 119877965
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95569339
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762466
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-[1-(methylsulfonylmethyl)cyclopropyl]ethanone
CID 127970603
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95348858) is 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC[C@H]1CC(=O)N1CCC[C@H]1c1cnn(C)c1.
What is the InChIKey of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NLXXPPBDCWZLPS-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(22)20-8-4-3-6-15(20)10-17(23)21-9-5-7-16(21)14-11-18-19(2)12-14/h11-12,15-16H,3-10H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95348858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).