1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine

C21H29N3O2 — CID 56900525

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2ccc(C3CCCCO3)o2)CC1
InChIInChI=1S/C21H29N3O2/c1-17-5-4-9-22-19(17)16-24-12-10-23(11-13-24)15-18-7-8-21(26-18)20-6-2-3-14-25-20/h4-5,7-9,20H,2-3,6,10-16H2,1H3
InChIKeyWLNBXZOXYNUCTG-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.54
Rot. Bonds5

About 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine

1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine (PubChem CID 56900525) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
PubChem CID56900525
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2ccc(C3CCCCO3)o2)CC1
InChIInChI=1S/C21H29N3O2/c1-17-5-4-9-22-19(17)16-24-12-10-23(11-13-24)15-18-7-8-21(26-18)20-6-2-3-14-25-20/h4-5,7-9,20H,2-3,6,10-16H2,1H3
InChIKeyWLNBXZOXYNUCTG-UHFFFAOYSA-N
XLogP3.54
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine 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-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine (CID 56900525) is 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine is Cc1cccnc1CN1CCN(Cc2ccc(C3CCCCO3)o2)CC1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine?
The InChIKey is WLNBXZOXYNUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-17-5-4-9-22-19(17)16-24-12-10-23(11-13-24)15-18-7-8-21(26-18)20-6-2-3-14-25-20/h4-5,7-9,20H,2-3,6,10-16H2,1H3.
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine?
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine has a molecular weight of 355.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine is sourced from PubChem (CID 56900525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).