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

C20H38N4O2 — CID 154671256

IUPAC2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen
SMILESCC(C)C(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.[H][H]
InChIInChI=1S/C20H36N4O2.H2/c1-14(2)20(26)21-18-12-17-11-16(18)13-24(17)19(25)5-6-22-7-9-23(10-8-22)15(3)4;/h14-18H,5-13H2,1-4H3,(H,21,26);1H
InChIKeyVNWFIQYTKUBAQE-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.41
Rot. Bonds6

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

2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen (PubChem CID 154671256) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen
PubChem CID154671256
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen
SMILESCC(C)C(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.[H][H]
InChIInChI=1S/C20H36N4O2.H2/c1-14(2)20(26)21-18-12-17-11-16(18)13-24(17)19(25)5-6-22-7-9-23(10-8-22)15(3)4;/h14-18H,5-13H2,1-4H3,(H,21,26);1H
InChIKeyVNWFIQYTKUBAQE-UHFFFAOYSA-N
XLogP1.41
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen (CID 154671256) is 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen is CC(C)C(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.[H][H].
What is the InChIKey of 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen?
The InChIKey is VNWFIQYTKUBAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.H2/c1-14(2)20(26)21-18-12-17-11-16(18)13-24(17)19(25)5-6-22-7-9-23(10-8-22)15(3)4;/h14-18H,5-13H2,1-4H3,(H,21,26);1H.
What are the key properties of 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen?
2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen has a molecular weight of 366.55 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 154671256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).