4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

C13H18N4O2 — CID 63723394

IUPAC4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H18N4O2/c1-13(2)12(19)15-5-6-17(13)11(18)10-4-3-9(7-14)8-16-10/h3-4,8H,5-7,14H2,1-2H3,(H,15,19)
InChIKeyLKJLNSHRCQCLMC-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.11
Rot. Bonds2

About 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one

4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63723394) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID63723394
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H18N4O2/c1-13(2)12(19)15-5-6-17(13)11(18)10-4-3-9(7-14)8-16-10/h3-4,8H,5-7,14H2,1-2H3,(H,15,19)
InChIKeyLKJLNSHRCQCLMC-UHFFFAOYSA-N
XLogP-0.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one 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 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one (CID 63723394) is 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1ccc(CN)cn1.
What is the InChIKey of 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is LKJLNSHRCQCLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2)12(19)15-5-6-17(13)11(18)10-4-3-9(7-14)8-16-10/h3-4,8H,5-7,14H2,1-2H3,(H,15,19).
What are the key properties of 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63723394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).