N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen

C19H36N4O2 — CID 166466921

IUPACN-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C19H34N4O2.H2/c1-4-21-7-9-22(10-8-21)6-5-18(24)23-13-15-11-16(23)12-17(15)20-19(25)14(2)3;/h14-17H,4-13H2,1-3H3,(H,20,25);1H
InChIKeyGFPQIWVQWNBSFW-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.02
Rot. Bonds6

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

N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 166466921) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID166466921
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC NameN-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C19H34N4O2.H2/c1-4-21-7-9-22(10-8-21)6-5-18(24)23-13-15-11-16(23)12-17(15)20-19(25)14(2)3;/h14-17H,4-13H2,1-3H3,(H,20,25);1H
InChIKeyGFPQIWVQWNBSFW-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen (CID 166466921) is N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen is CCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)C(C)C)CC1.[H][H].
What is the InChIKey of N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is GFPQIWVQWNBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.H2/c1-4-21-7-9-22(10-8-21)6-5-18(24)23-13-15-11-16(23)12-17(15)20-19(25)14(2)3;/h14-17H,4-13H2,1-3H3,(H,20,25);1H.
What are the key properties of N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen?
N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 352.52 g/mol, XLogP of 1.02, 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-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 166466921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).