furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone

C16H19N3O2 — CID 60548232

IUPACfuran-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1cccnc1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H19N3O2/c1-13(14-3-2-5-17-11-14)18-6-8-19(9-7-18)16(20)15-4-10-21-12-15/h2-5,10-13H,6-9H2,1H3
InChIKeyVHWYYKRXJLZADV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.19
Rot. Bonds3

About furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone

furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone (PubChem CID 60548232) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
PubChem CID60548232
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namefuran-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1cccnc1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C16H19N3O2/c1-13(14-3-2-5-17-11-14)18-6-8-19(9-7-18)16(20)15-4-10-21-12-15/h2-5,10-13H,6-9H2,1H3
InChIKeyVHWYYKRXJLZADV-UHFFFAOYSA-N
XLogP2.19
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604
furan-3-yl-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 134007167
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
(2,3-dimethyl-1H-indol-5-yl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 136525932
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 119903322

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone (CID 60548232) is furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone is CC(c1cccnc1)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
The InChIKey is VHWYYKRXJLZADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13(14-3-2-5-17-11-14)18-6-8-19(9-7-18)16(20)15-4-10-21-12-15/h2-5,10-13H,6-9H2,1H3.
What are the key properties of furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone?
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60548232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).