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

C19H34N4O2 — CID 166466874

IUPACN-[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
InChIInChI=1S/C19H34N4O2/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)
InChIKeyGWRZNZHEZMPHFN-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.92
Rot. Bonds6

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

N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (PubChem CID 166466874) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
PubChem CID166466874
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-[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
InChIInChI=1S/C19H34N4O2/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)
InChIKeyGWRZNZHEZMPHFN-UHFFFAOYSA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The IUPAC name of N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (CID 166466874) is 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 N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The canonical SMILES for 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.
What is the InChIKey of N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The InChIKey is GWRZNZHEZMPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/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).
What are the key properties of N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide is sourced from PubChem (CID 166466874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).