2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one

C15H24N4O2 — CID 62473760

IUPAC2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-11-5-14(16)15(20)19-9-7-18(8-10-19)12-13-4-2-3-6-17-13/h2-4,6,14H,5,7-12,16H2,1H3
InChIKeyKHHPCZVEQMYDEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.09
Rot. Bonds6

About 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one

2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one (PubChem CID 62473760) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
PubChem CID62473760
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-21-11-5-14(16)15(20)19-9-7-18(8-10-19)12-13-4-2-3-6-17-13/h2-4,6,14H,5,7-12,16H2,1H3
InChIKeyKHHPCZVEQMYDEP-UHFFFAOYSA-N
XLogP0.09
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 65230073
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 79345467
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 62473038
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
(2R)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94044311
2-amino-N-cyclopropyl-4-methoxy-N-(pyridin-2-ylmethyl)butanamide
CID 62474295
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one (CID 62473760) is 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one is COCCC(N)C(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
The InChIKey is KHHPCZVEQMYDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-11-5-14(16)15(20)19-9-7-18(8-10-19)12-13-4-2-3-6-17-13/h2-4,6,14H,5,7-12,16H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one?
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 62473760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).