1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

C21H31N3O2 — CID 56709388

IUPAC1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCN(Cc3ccc(C4CCCCO4)o3)CC2)[nH]n1
InChIInChI=1S/C21H31N3O2/c1-15(2)18-13-19(23-22-18)16-8-10-24(11-9-16)14-17-6-7-21(26-17)20-5-3-4-12-25-20/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3,(H,22,23)
InChIKeyPSPWMLIZTUJKGU-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.75
Rot. Bonds5

About 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine

1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 56709388) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID56709388
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cc(C2CCN(Cc3ccc(C4CCCCO4)o3)CC2)[nH]n1
InChIInChI=1S/C21H31N3O2/c1-15(2)18-13-19(23-22-18)16-8-10-24(11-9-16)14-17-6-7-21(26-17)20-5-3-4-12-25-20/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3,(H,22,23)
InChIKeyPSPWMLIZTUJKGU-UHFFFAOYSA-N
XLogP4.75
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 56709388) is 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cc(C2CCN(Cc3ccc(C4CCCCO4)o3)CC2)[nH]n1.
What is the InChIKey of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is PSPWMLIZTUJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)18-13-19(23-22-18)16-8-10-24(11-9-16)14-17-6-7-21(26-17)20-5-3-4-12-25-20/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3,(H,22,23).
What are the key properties of 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine?
1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 357.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 56709388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).