molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide

C19H36N4O2 — CID 166466873

IUPACmolecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
SMILESCCC(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.[H][H]
InChIInChI=1S/C19H34N4O2.H2/c1-4-18(24)20-17-12-16-11-15(17)13-23(16)19(25)5-6-21-7-9-22(10-8-21)14(2)3;/h14-17H,4-13H2,1-3H3,(H,20,24);1H
InChIKeyWTNIVAZRBNGPOM-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.16
Rot. Bonds6

About molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide

molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (PubChem CID 166466873) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
PubChem CID166466873
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Namemolecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
SMILESCCC(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.[H][H]
InChIInChI=1S/C19H34N4O2.H2/c1-4-18(24)20-17-12-16-11-15(17)13-23(16)19(25)5-6-21-7-9-22(10-8-21)14(2)3;/h14-17H,4-13H2,1-3H3,(H,20,24);1H
InChIKeyWTNIVAZRBNGPOM-UHFFFAOYSA-N
XLogP1.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide 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 molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The IUPAC name of molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (CID 166466873) is molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide.
What is the SMILES notation for molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The canonical SMILES for molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide is CCC(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The InChIKey is WTNIVAZRBNGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.H2/c1-4-18(24)20-17-12-16-11-15(17)13-23(16)19(25)5-6-21-7-9-22(10-8-21)14(2)3;/h14-17H,4-13H2,1-3H3,(H,20,24);1H.
What are the key properties of molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide has a molecular weight of 352.52 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide is sourced from PubChem (CID 166466873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).