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

C20H36N4O2 — CID 154671257

IUPAC2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
SMILESCC(C)C(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C20H36N4O2/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)
InChIKeyBMESGXISOBNPQZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.16
Rot. Bonds6

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

2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide (PubChem CID 154671257) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 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 Properties

Compound Name2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
PubChem CID154671257
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide
SMILESCC(C)C(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1
InChIInChI=1S/C20H36N4O2/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)
InChIKeyBMESGXISOBNPQZ-UHFFFAOYSA-N
XLogP1.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.16
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?
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 (CID 154671257) is 2-methyl-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 2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide?
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 is CC(C)C(=O)NC1CC2CC1CN2C(=O)CCN1CCN(C(C)C)CC1.
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?
The InChIKey is BMESGXISOBNPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/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).
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?
2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]propanamide has a molecular weight of 364.53 g/mol, XLogP of 1.16, 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 is sourced from PubChem (CID 154671257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).