cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C14H19N3O — CID 831602

IUPACcyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N3O/c18-14(12-4-3-5-12)17-10-8-16(9-11-17)13-6-1-2-7-15-13/h1-2,6-7,12H,3-5,8-11H2
InChIKeyNFFBMVDEFFTWDA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.53
Rot. Bonds2

About cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone

cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 831602) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID831602
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namecyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCC1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N3O/c18-14(12-4-3-5-12)17-10-8-16(9-11-17)13-6-1-2-7-15-13/h1-2,6-7,12H,3-5,8-11H2
InChIKeyNFFBMVDEFFTWDA-UHFFFAOYSA-N
XLogP1.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone 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 cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 831602) is cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(C1CCC1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NFFBMVDEFFTWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(12-4-3-5-12)17-10-8-16(9-11-17)13-6-1-2-7-15-13/h1-2,6-7,12H,3-5,8-11H2.
What are the key properties of cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 831602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).