[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone

C17H22N4O — CID 124852139

IUPAC[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1ccnn1CCN1CCC[C@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C17H22N4O/c1-14-7-9-19-21(14)12-11-20-10-4-5-15(13-20)17(22)16-6-2-3-8-18-16/h2-3,6-9,15H,4-5,10-13H2,1H3/t15-/m0/s1
InChIKeyUHKZDBDGGQQZBN-HNNXBMFYSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds5

About [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 124852139) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID124852139
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1ccnn1CCN1CCC[C@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C17H22N4O/c1-14-7-9-19-21(14)12-11-20-10-4-5-15(13-20)17(22)16-6-2-3-8-18-16/h2-3,6-9,15H,4-5,10-13H2,1H3/t15-/m0/s1
InChIKeyUHKZDBDGGQQZBN-HNNXBMFYSA-N
XLogP2.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753964
[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95202414
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 91832837
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(pyridine-2-carbonyl)piperidin-1-yl]acetamide
CID 124752283
1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 124852139) is [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone is Cc1ccnn1CCN1CCC[C@H](C(=O)c2ccccn2)C1.
What is the InChIKey of [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is UHKZDBDGGQQZBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-7-9-19-21(14)12-11-20-10-4-5-15(13-20)17(22)16-6-2-3-8-18-16/h2-3,6-9,15H,4-5,10-13H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124852139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).