(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone

C17H22N4O — CID 124943393

IUPAC(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)cn1
InChIInChI=1S/C17H22N4O/c1-13-5-6-14(11-18-13)10-15-4-3-8-21(12-15)17(22)16-7-9-20(2)19-16/h5-7,9,11,15H,3-4,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeyBCEBHKYRHNGWHF-HNNXBMFYSA-N
MW298.39 g/mol
LogP2.22
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone (PubChem CID 124943393) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
PubChem CID124943393
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)cn1
InChIInChI=1S/C17H22N4O/c1-13-5-6-14(11-18-13)10-15-4-3-8-21(12-15)17(22)16-7-9-20(2)19-16/h5-7,9,11,15H,3-4,8,10,12H2,1-2H3/t15-/m0/s1
InChIKeyBCEBHKYRHNGWHF-HNNXBMFYSA-N
XLogP2.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110110975
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 125024367
(1-methylpyrazol-3-yl)-[(3R)-3-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 124972215
isoquinolin-1-yl-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103462
3-chloro-5-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124939624
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124942713
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124988678

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone (CID 124943393) is (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone is Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
The InChIKey is BCEBHKYRHNGWHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-6-14(11-18-13)10-15-4-3-8-21(12-15)17(22)16-7-9-20(2)19-16/h5-7,9,11,15H,3-4,8,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124943393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).