1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one

C15H24N4O — CID 43461986

IUPAC1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C15H24N4O/c1-2-3-4-5-15(20)19-10-8-18(9-11-19)14-7-6-13(16)12-17-14/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyYRQXZBSHSLHDQE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one

1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one (PubChem CID 43461986) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
PubChem CID43461986
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(c2ccc(N)cn2)CC1
InChIInChI=1S/C15H24N4O/c1-2-3-4-5-15(20)19-10-8-18(9-11-19)14-7-6-13(16)12-17-14/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyYRQXZBSHSLHDQE-UHFFFAOYSA-N
XLogP1.89
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43462000
4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
CID 79159197
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]heptan-1-one
CID 114751974
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
5-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 56552908
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 64662975
N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11280398
N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one (CID 43461986) is 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one is CCCCCC(=O)N1CCN(c2ccc(N)cn2)CC1.
What is the InChIKey of 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one?
The InChIKey is YRQXZBSHSLHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-4-5-15(20)19-10-8-18(9-11-19)14-7-6-13(16)12-17-14/h6-7,12H,2-5,8-11,16H2,1H3.
What are the key properties of 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one?
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 43461986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).