3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one

C18H24N4O — CID 118740375

IUPAC3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCCC(Cc3cccnc3)C2)n1
InChIInChI=1S/C18H24N4O/c1-15-6-10-22(20-15)11-7-18(23)21-9-3-5-17(14-21)12-16-4-2-8-19-13-16/h2,4,6,8,10,13,17H,3,5,7,9,11-12,14H2,1H3
InChIKeyIHYJCJGAVPIFEV-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.46
Rot. Bonds5

About 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one

3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 118740375) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID118740375
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCc1ccn(CCC(=O)N2CCCC(Cc3cccnc3)C2)n1
InChIInChI=1S/C18H24N4O/c1-15-6-10-22(20-15)11-7-18(23)21-9-3-5-17(14-21)12-16-4-2-8-19-13-16/h2,4,6,8,10,13,17H,3,5,7,9,11-12,14H2,1H3
InChIKeyIHYJCJGAVPIFEV-UHFFFAOYSA-N
XLogP2.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9821511
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CID 91819624
4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one (CID 118740375) is 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one is Cc1ccn(CCC(=O)N2CCCC(Cc3cccnc3)C2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is IHYJCJGAVPIFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-6-10-22(20-15)11-7-18(23)21-9-3-5-17(14-21)12-16-4-2-8-19-13-16/h2,4,6,8,10,13,17H,3,5,7,9,11-12,14H2,1H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one?
3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 312.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118740375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).