N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

C14H26N4O — CID 140936813

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@H]2CN3CCC2CC3)CC1
InChIInChI=1S/C14H26N4O/c1-16-6-8-18(9-7-16)11-14(19)15-13-10-17-4-2-12(13)3-5-17/h12-13H,2-11H2,1H3,(H,15,19)/t13-/m0/s1
InChIKeyQZEHWXWGHDLHBN-ZDUSSCGKSA-N
MW266.39 g/mol
LogP-0.56
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 140936813) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID140936813
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N[C@H]2CN3CCC2CC3)CC1
InChIInChI=1S/C14H26N4O/c1-16-6-8-18(9-7-16)11-14(19)15-13-10-17-4-2-12(13)3-5-17/h12-13H,2-11H2,1H3,(H,15,19)/t13-/m0/s1
InChIKeyQZEHWXWGHDLHBN-ZDUSSCGKSA-N
XLogP-0.56
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 140936813) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N[C@H]2CN3CCC2CC3)CC1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QZEHWXWGHDLHBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16-6-8-18(9-7-16)11-14(19)15-13-10-17-4-2-12(13)3-5-17/h12-13H,2-11H2,1H3,(H,15,19)/t13-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 266.39 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 140936813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).