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

C15H24N4O — CID 63594887

IUPAC4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccncc1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H24N4O/c1-4-12(16)13(11-5-7-17-8-6-11)19-10-9-18-14(20)15(19,2)3/h5-8,12-13H,4,9-10,16H2,1-3H3,(H,18,20)
InChIKeyQQQJDCIRESFUPV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.07
Rot. Bonds4

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

4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63594887) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
PubChem CID63594887
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccncc1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H24N4O/c1-4-12(16)13(11-5-7-17-8-6-11)19-10-9-18-14(20)15(19,2)3/h5-8,12-13H,4,9-10,16H2,1-3H3,(H,18,20)
InChIKeyQQQJDCIRESFUPV-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-4-ylbutyl)-3,3-dimethylpiperazin-2-one with MolForge

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Related Compounds

4-(2-amino-1-pyridin-2-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63595407
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
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
4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one
CID 63594710
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-pyridin-4-ylbutan-2-amine
CID 63015120
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
CID 63606639
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
1-(1,4-oxazepan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 62988625
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 62200154
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 102882843

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one (CID 63594887) is 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one is CCC(N)C(c1ccncc1)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is QQQJDCIRESFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12(16)13(11-5-7-17-8-6-11)19-10-9-18-14(20)15(19,2)3/h5-8,12-13H,4,9-10,16H2,1-3H3,(H,18,20).
What are the key properties of 4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one?
4-(2-amino-1-pyridin-4-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-4-ylbutyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63594887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).