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

C19H34N4O2 — CID 154670727

IUPACN-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
SMILESCCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)CC)CC1
InChIInChI=1S/C19H34N4O2/c1-3-6-21-8-10-22(11-9-21)7-5-19(25)23-14-15-12-16(23)13-17(15)20-18(24)4-2/h15-17H,3-14H2,1-2H3,(H,20,24)
InChIKeyNICNWBFHFAVTSS-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.92
Rot. Bonds7

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

N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (PubChem CID 154670727) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
PubChem CID154670727
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
SMILESCCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)CC)CC1
InChIInChI=1S/C19H34N4O2/c1-3-6-21-8-10-22(11-9-21)7-5-19(25)23-14-15-12-16(23)13-17(15)20-18(24)4-2/h15-17H,3-14H2,1-2H3,(H,20,24)
InChIKeyNICNWBFHFAVTSS-UHFFFAOYSA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The IUPAC name of N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (CID 154670727) is N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide.
What is the SMILES notation for N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The canonical SMILES for N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide is CCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)CC)CC1.
What is the InChIKey of N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
The InChIKey is NICNWBFHFAVTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-3-6-21-8-10-22(11-9-21)7-5-19(25)23-14-15-12-16(23)13-17(15)20-18(24)4-2/h15-17H,3-14H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
N-[2-[3-(4-propylpiperazin-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, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-propylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide is sourced from PubChem (CID 154670727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).