[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone

C15H22N4O — CID 43462423

IUPAC[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
SMILESNc1cnccc1N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C15H22N4O/c16-13-11-17-6-5-14(13)18-7-9-19(10-8-18)15(20)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10,16H2
InChIKeyHWXXGEQRHVGVJT-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.50
Rot. Bonds2

About [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 43462423) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID43462423
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
SMILESNc1cnccc1N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C15H22N4O/c16-13-11-17-6-5-14(13)18-7-9-19(10-8-18)15(20)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10,16H2
InChIKeyHWXXGEQRHVGVJT-UHFFFAOYSA-N
XLogP1.50
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
methyl 3-amino-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]benzoate
CID 89310789
1-(3-amino-4-pyridinyl)piperidin-2-ol
CID 130114597
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
[1-[3-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 136568171
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]heptan-1-one
CID 114751974

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone (CID 43462423) is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone is Nc1cnccc1N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is HWXXGEQRHVGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-13-11-17-6-5-14(13)18-7-9-19(10-8-18)15(20)12-3-1-2-4-12/h5-6,11-12H,1-4,7-10,16H2.
What are the key properties of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone?
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 274.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 43462423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).