3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C23H29N5O3 — CID 3687514

IUPAC3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C(Cn1ccc(-c2cccnc2)n1)N1CCC(N2CC3(CCCCC3)OC2=O)CC1
InChIInChI=1S/C23H29N5O3/c29-21(16-27-14-8-20(25-27)18-5-4-11-24-15-18)26-12-6-19(7-13-26)28-17-23(31-22(28)30)9-2-1-3-10-23/h4-5,8,11,14-15,19H,1-3,6-7,9-10,12-13,16-17H2
InChIKeyRGEXFQJTGFGLBW-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.09
Rot. Bonds4

About 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 3687514) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID3687514
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C(Cn1ccc(-c2cccnc2)n1)N1CCC(N2CC3(CCCCC3)OC2=O)CC1
InChIInChI=1S/C23H29N5O3/c29-21(16-27-14-8-20(25-27)18-5-4-11-24-15-18)26-12-6-19(7-13-26)28-17-23(31-22(28)30)9-2-1-3-10-23/h4-5,8,11,14-15,19H,1-3,6-7,9-10,12-13,16-17H2
InChIKeyRGEXFQJTGFGLBW-UHFFFAOYSA-N
XLogP3.09
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 3687514) is 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C(Cn1ccc(-c2cccnc2)n1)N1CCC(N2CC3(CCCCC3)OC2=O)CC1.
What is the InChIKey of 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is RGEXFQJTGFGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c29-21(16-27-14-8-20(25-27)18-5-4-11-24-15-18)26-12-6-19(7-13-26)28-17-23(31-22(28)30)9-2-1-3-10-23/h4-5,8,11,14-15,19H,1-3,6-7,9-10,12-13,16-17H2.
What are the key properties of 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 423.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 3687514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).