4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one

C15H24N4O — CID 63595407

IUPAC4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccccn1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H24N4O/c1-4-11(16)13(12-7-5-6-8-17-12)19-10-9-18-14(20)15(19,2)3/h5-8,11,13H,4,9-10,16H2,1-3H3,(H,18,20)
InChIKeyUMCZDOHFIJZJFK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.07
Rot. Bonds4

About 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one

4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63595407) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one
PubChem CID63595407
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccccn1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H24N4O/c1-4-11(16)13(12-7-5-6-8-17-12)19-10-9-18-14(20)15(19,2)3/h5-8,11,13H,4,9-10,16H2,1-3H3,(H,18,20)
InChIKeyUMCZDOHFIJZJFK-UHFFFAOYSA-N
XLogP1.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-1-pyridin-2-ylbutyl)-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

Related Compounds

4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63594887
4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
CID 63595234
4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one
CID 63595404
1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 63604175
4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63595749
7-(2-amino-1-pyridin-2-ylbutyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095539
4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63594889
4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
CID 63594571
1-(2,3-dimethylpiperidin-1-yl)-1-pyridin-2-ylbutan-2-amine
CID 62124060
1-(4-ethyl-4-methylpiperidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 55166215
4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 103958913
4-(2-amino-1-pyridin-2-ylpropyl)-3-methylpiperazin-2-one
CID 63594897

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one (CID 63595407) is 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one is CCC(N)C(c1ccccn1)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is UMCZDOHFIJZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-11(16)13(12-7-5-6-8-17-12)19-10-9-18-14(20)15(19,2)3/h5-8,11,13H,4,9-10,16H2,1-3H3,(H,18,20).
What are the key properties of 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one?
4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).