1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one

C23H26N4O2 — CID 153015611

IUPAC1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
SMILESO=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCCCC1
InChIInChI=1S/C23H26N4O2/c28-23(27-13-2-1-3-14-27)10-7-18-5-4-6-19(15-18)17-29-20-8-9-21(24-16-20)22-11-12-25-26-22/h4-6,8-9,11-12,15-16H,1-3,7,10,13-14,17H2,(H,25,26)
InChIKeyVAXMBMRWGFMCCR-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.00
Rot. Bonds7

About 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one

1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one (PubChem CID 153015611) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
PubChem CID153015611
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one
SMILESO=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCCCC1
InChIInChI=1S/C23H26N4O2/c28-23(27-13-2-1-3-14-27)10-7-18-5-4-6-19(15-18)17-29-20-8-9-21(24-16-20)22-11-12-25-26-22/h4-6,8-9,11-12,15-16H,1-3,7,10,13-14,17H2,(H,25,26)
InChIKeyVAXMBMRWGFMCCR-UHFFFAOYSA-N
XLogP4.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one (CID 153015611) is 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one is O=C(CCc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
The InChIKey is VAXMBMRWGFMCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(27-13-2-1-3-14-27)10-7-18-5-4-6-19(15-18)17-29-20-8-9-21(24-16-20)22-11-12-25-26-22/h4-6,8-9,11-12,15-16H,1-3,7,10,13-14,17H2,(H,25,26).
What are the key properties of 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one?
1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one has a molecular weight of 390.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-1-one is sourced from PubChem (CID 153015611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).