3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

C17H28N4O2 — CID 25370934

IUPAC3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCn1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-19-12-16(11-18-19)14-20-6-2-3-15(13-20)4-5-17(22)21-7-9-23-10-8-21/h11-12,15H,2-10,13-14H2,1H3/t15-/m0/s1
InChIKeyFRPZATRRUBZTSD-HNNXBMFYSA-N
MW320.44 g/mol
LogP1.27
Rot. Bonds5

About 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one

3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 25370934) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID25370934
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESCn1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-19-12-16(11-18-19)14-20-6-2-3-15(13-20)4-5-17(22)21-7-9-23-10-8-21/h11-12,15H,2-10,13-14H2,1H3/t15-/m0/s1
InChIKeyFRPZATRRUBZTSD-HNNXBMFYSA-N
XLogP1.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 25370934) is 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is Cn1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is FRPZATRRUBZTSD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-12-16(11-18-19)14-20-6-2-3-15(13-20)4-5-17(22)21-7-9-23-10-8-21/h11-12,15H,2-10,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 25370934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).