2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone

C21H26N4O — CID 170170404

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)N1CC2CCC1C2
InChIInChI=1S/C21H26N4O/c26-21(25-14-15-1-4-20(25)11-15)17-7-9-24(10-8-17)19-5-2-16(3-6-19)18-12-22-23-13-18/h2-3,5-6,12-13,15,17,20H,1,4,7-11,14H2,(H,22,23)
InChIKeyOTJRKEUZDLRNHC-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.30
Rot. Bonds3

About 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone

2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone (PubChem CID 170170404) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
PubChem CID170170404
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)N1CC2CCC1C2
InChIInChI=1S/C21H26N4O/c26-21(25-14-15-1-4-20(25)11-15)17-7-9-24(10-8-17)19-5-2-16(3-6-19)18-12-22-23-13-18/h2-3,5-6,12-13,15,17,20H,1,4,7-11,14H2,(H,22,23)
InChIKeyOTJRKEUZDLRNHC-UHFFFAOYSA-N
XLogP3.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-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 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone (CID 170170404) is 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
The InChIKey is OTJRKEUZDLRNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(25-14-15-1-4-20(25)11-15)17-7-9-24(10-8-17)19-5-2-16(3-6-19)18-12-22-23-13-18/h2-3,5-6,12-13,15,17,20H,1,4,7-11,14H2,(H,22,23).
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone is sourced from PubChem (CID 170170404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).