[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone

C14H16N4O2 — CID 43462002

IUPAC[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccoc3)CC2)nc1
InChIInChI=1S/C14H16N4O2/c15-12-1-2-13(16-9-12)17-4-6-18(7-5-17)14(19)11-3-8-20-10-11/h1-3,8-10H,4-7,15H2
InChIKeyMYQLHFVCGKXANQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.22
Rot. Bonds2

About [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone

[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 43462002) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID43462002
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone
SMILESNc1ccc(N2CCN(C(=O)c3ccoc3)CC2)nc1
InChIInChI=1S/C14H16N4O2/c15-12-1-2-13(16-9-12)17-4-6-18(7-5-17)14(19)11-3-8-20-10-11/h1-3,8-10H,4-7,15H2
InChIKeyMYQLHFVCGKXANQ-UHFFFAOYSA-N
XLogP1.22
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43461990
furan-3-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343060
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
N-(3,5-difluorophenyl)-6-[4-(furan-3-carbonyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133351843
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
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
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537131

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone (CID 43462002) is [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone is Nc1ccc(N2CCN(C(=O)c3ccoc3)CC2)nc1.
What is the InChIKey of [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is MYQLHFVCGKXANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-12-1-2-13(16-9-12)17-4-6-18(7-5-17)14(19)11-3-8-20-10-11/h1-3,8-10H,4-7,15H2.
What are the key properties of [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone?
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-2-pyridinyl)piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 43462002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).