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

C19H34N4O2 — CID 166466922

IUPACN-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide
SMILESCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)C(C)C)CC1
InChIInChI=1S/C19H34N4O2/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)
InChIKeyCAUAQBXFCBHMGF-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.78
Rot. Bonds6

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

N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide (PubChem CID 166466922) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 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 Properties

Compound NameN-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide
PubChem CID166466922
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide
SMILESCCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)C(C)C)CC1
InChIInChI=1S/C19H34N4O2/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)
InChIKeyCAUAQBXFCBHMGF-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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?
The IUPAC name of N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide (CID 166466922) is N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide is CCN1CCN(CCC(=O)N2CC3CC2CC3NC(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide?
The InChIKey is CAUAQBXFCBHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/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).
What are the key properties of N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide?
N-[2-[3-(4-ethylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-2-methylpropanamide has a molecular weight of 350.51 g/mol, XLogP of 0.78, 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 is sourced from PubChem (CID 166466922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).