(5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one

C20H20N4O3 — CID 90323212

IUPAC(5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one
SMILESC[C@]1(Oc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cn2)CCC(=O)NC1
InChIInChI=1S/C20H20N4O3/c1-20(10-8-18(25)22-13-20)27-19-7-6-16(12-21-19)26-15-4-2-14(3-5-15)17-9-11-23-24-17/h2-7,9,11-12H,8,10,13H2,1H3,(H,22,25)(H,23,24)/t20-/m0/s1
InChIKeyOROQDQYSMBOEPJ-FQEVSTJZSA-N
MW364.41 g/mol
LogP3.31
Rot. Bonds5

About (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one

(5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one (PubChem CID 90323212) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one
PubChem CID90323212
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one
SMILESC[C@]1(Oc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cn2)CCC(=O)NC1
InChIInChI=1S/C20H20N4O3/c1-20(10-8-18(25)22-13-20)27-19-7-6-16(12-21-19)26-15-4-2-14(3-5-15)17-9-11-23-24-17/h2-7,9,11-12H,8,10,13H2,1H3,(H,22,25)(H,23,24)/t20-/m0/s1
InChIKeyOROQDQYSMBOEPJ-FQEVSTJZSA-N
XLogP3.31
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one?
The IUPAC name of (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one (CID 90323212) is (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one.
What is the SMILES notation for (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one?
The canonical SMILES for (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one is C[C@]1(Oc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cn2)CCC(=O)NC1.
What is the InChIKey of (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one?
The InChIKey is OROQDQYSMBOEPJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(10-8-18(25)22-13-20)27-19-7-6-16(12-21-19)26-15-4-2-14(3-5-15)17-9-11-23-24-17/h2-7,9,11-12H,8,10,13H2,1H3,(H,22,25)(H,23,24)/t20-/m0/s1.
What are the key properties of (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one?
(5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[[5-[4-(1H-pyrazol-5-yl)phenoxy]-2-pyridinyl]oxy]piperidin-2-one is sourced from PubChem (CID 90323212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).