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

C14H15ClN4O2 — CID 106683150

IUPAC[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
SMILESNc1cnccc1N1CCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H15ClN4O2/c15-13-2-1-12(21-13)14(20)19-7-5-18(6-8-19)11-3-4-17-9-10(11)16/h1-4,9H,5-8,16H2
InChIKeyACAOVWDTWTUBOA-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.87
Rot. Bonds2

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

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone (PubChem CID 106683150) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
PubChem CID106683150
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
SMILESNc1cnccc1N1CCN(C(=O)c2ccc(Cl)o2)CC1
InChIInChI=1S/C14H15ClN4O2/c15-13-2-1-12(21-13)14(20)19-7-5-18(6-8-19)11-3-4-17-9-10(11)16/h1-4,9H,5-8,16H2
InChIKeyACAOVWDTWTUBOA-UHFFFAOYSA-N
XLogP1.87
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276861
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818622
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one
CID 114873487
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75432435
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]heptan-1-one
CID 114751974
(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 95905591
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone (CID 106683150) is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone is Nc1cnccc1N1CCN(C(=O)c2ccc(Cl)o2)CC1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone?
The InChIKey is ACAOVWDTWTUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-13-2-1-12(21-13)14(20)19-7-5-18(6-8-19)11-3-4-17-9-10(11)16/h1-4,9H,5-8,16H2.
What are the key properties of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone?
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone has a molecular weight of 306.75 g/mol, XLogP of 1.87, 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-chlorofuran-2-yl)methanone is sourced from PubChem (CID 106683150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).