3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one

C23H28N4O2 — CID 56710296

IUPAC3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CNCc1cnn2ccccc12
InChIInChI=1S/C23H28N4O2/c28-22-23(29,18-24-16-20-17-25-27-15-5-4-11-21(20)27)12-7-14-26(22)13-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,17,24,29H,6-7,10,12-14,16,18H2
InChIKeySLXIHFZYSMWTPV-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.41
Rot. Bonds8

About 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one

3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one (PubChem CID 56710296) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
PubChem CID56710296
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CNCc1cnn2ccccc12
InChIInChI=1S/C23H28N4O2/c28-22-23(29,18-24-16-20-17-25-27-15-5-4-11-21(20)27)12-7-14-26(22)13-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,17,24,29H,6-7,10,12-14,16,18H2
InChIKeySLXIHFZYSMWTPV-UHFFFAOYSA-N
XLogP2.41
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one (CID 56710296) is 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one is O=C1N(CCCc2ccccc2)CCCC1(O)CNCc1cnn2ccccc12.
What is the InChIKey of 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
The InChIKey is SLXIHFZYSMWTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22-23(29,18-24-16-20-17-25-27-15-5-4-11-21(20)27)12-7-14-26(22)13-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,17,24,29H,6-7,10,12-14,16,18H2.
What are the key properties of 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one?
3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-phenylpropyl)-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 56710296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).