[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone

C15H18N4O2 — CID 114818622

IUPAC[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccncc3N)CC2)co1
InChIInChI=1S/C15H18N4O2/c1-11-8-12(10-21-11)15(20)19-6-4-18(5-7-19)14-2-3-17-9-13(14)16/h2-3,8-10H,4-7,16H2,1H3
InChIKeyPHXOYYPIRJQFLZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.53
Rot. Bonds2

About [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone (PubChem CID 114818622) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
PubChem CID114818622
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccncc3N)CC2)co1
InChIInChI=1S/C15H18N4O2/c1-11-8-12(10-21-11)15(20)19-6-4-18(5-7-19)14-2-3-17-9-13(14)16/h2-3,8-10H,4-7,16H2,1H3
InChIKeyPHXOYYPIRJQFLZ-UHFFFAOYSA-N
XLogP1.53
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 106683150
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276861
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[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
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
CID 114822701
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]heptan-1-one
CID 114751974
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one
CID 114873487
ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
CID 43462466
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone (CID 114818622) is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccncc3N)CC2)co1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone?
The InChIKey is PHXOYYPIRJQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-8-12(10-21-11)15(20)19-6-4-18(5-7-19)14-2-3-17-9-13(14)16/h2-3,8-10H,4-7,16H2,1H3.
What are the key properties of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone?
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114818622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).