1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C17H22N4O — CID 96514407

IUPAC1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCc1cc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n[nH]1
InChIInChI=1S/C17H22N4O/c1-13-11-16(20-19-13)15-3-2-10-21(12-15)17(22)5-4-14-6-8-18-9-7-14/h6-9,11,15H,2-5,10,12H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJVGVWFOIWLSSLB-HNNXBMFYSA-N
MW298.39 g/mol
LogP2.45
Rot. Bonds4

About 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 96514407) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID96514407
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCc1cc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n[nH]1
InChIInChI=1S/C17H22N4O/c1-13-11-16(20-19-13)15-3-2-10-21(12-15)17(22)5-4-14-6-8-18-9-7-14/h6-9,11,15H,2-5,10,12H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJVGVWFOIWLSSLB-HNNXBMFYSA-N
XLogP2.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 71926811
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 71926934
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
2-(4-hydroxyphenyl)sulfanyl-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 124848351
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 97069115
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 71871656
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 96514407) is 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is Cc1cc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n[nH]1.
What is the InChIKey of 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is JVGVWFOIWLSSLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-11-16(20-19-13)15-3-2-10-21(12-15)17(22)5-4-14-6-8-18-9-7-14/h6-9,11,15H,2-5,10,12H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 96514407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).