3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

C20H34N4O2 — CID 45211316

IUPAC3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)Cc1cc(CN2CCCC(CCC(=O)N3CCOCC3)C2)[nH]n1
InChIInChI=1S/C20H34N4O2/c1-16(2)12-18-13-19(22-21-18)15-23-7-3-4-17(14-23)5-6-20(25)24-8-10-26-11-9-24/h13,16-17H,3-12,14-15H2,1-2H3,(H,21,22)
InChIKeyYJYAZLZCGOIMPW-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.46
Rot. Bonds7

About 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 45211316) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID45211316
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)Cc1cc(CN2CCCC(CCC(=O)N3CCOCC3)C2)[nH]n1
InChIInChI=1S/C20H34N4O2/c1-16(2)12-18-13-19(22-21-18)15-23-7-3-4-17(14-23)5-6-20(25)24-8-10-26-11-9-24/h13,16-17H,3-12,14-15H2,1-2H3,(H,21,22)
InChIKeyYJYAZLZCGOIMPW-UHFFFAOYSA-N
XLogP2.46
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 45211316) is 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is CC(C)Cc1cc(CN2CCCC(CCC(=O)N3CCOCC3)C2)[nH]n1.
What is the InChIKey of 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YJYAZLZCGOIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-16(2)12-18-13-19(22-21-18)15-23-7-3-4-17(14-23)5-6-20(25)24-8-10-26-11-9-24/h13,16-17H,3-12,14-15H2,1-2H3,(H,21,22).
What are the key properties of 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 362.52 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 45211316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).