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

C14H20N4O — CID 43462424

IUPAC[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
SMILESNc1cnccc1N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H20N4O/c15-12-10-16-5-4-13(12)17-6-8-18(9-7-17)14(19)11-2-1-3-11/h4-5,10-11H,1-3,6-9,15H2
InChIKeyQBKIQHJMAMTRHQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.11
Rot. Bonds2

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

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone (PubChem CID 43462424) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
PubChem CID43462424
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
SMILESNc1cnccc1N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C14H20N4O/c15-12-10-16-5-4-13(12)17-6-8-18(9-7-17)14(19)11-2-1-3-11/h4-5,10-11H,1-3,6-9,15H2
InChIKeyQBKIQHJMAMTRHQ-UHFFFAOYSA-N
XLogP1.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
[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
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
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 106683150
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one
CID 114873487

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone (CID 43462424) is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone is Nc1cnccc1N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is QBKIQHJMAMTRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-12-10-16-5-4-13(12)17-6-8-18(9-7-17)14(19)11-2-1-3-11/h4-5,10-11H,1-3,6-9,15H2.
What are the key properties of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone?
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.11, 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]-cyclobutylmethanone is sourced from PubChem (CID 43462424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).