1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile

C12H15N3O2 — CID 79085068

IUPAC1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CCc1ccco1
InChIInChI=1S/C12H15N3O2/c13-8-10-9-14-5-6-15(10)12(16)4-3-11-2-1-7-17-11/h1-2,7,10,14H,3-6,9H2
InChIKeyHAPNRWCQGZKCGK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.54
Rot. Bonds3

About 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile

1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile (PubChem CID 79085068) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile
PubChem CID79085068
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CCc1ccco1
InChIInChI=1S/C12H15N3O2/c13-8-10-9-14-5-6-15(10)12(16)4-3-11-2-1-7-17-11/h1-2,7,10,14H,3-6,9H2
InChIKeyHAPNRWCQGZKCGK-UHFFFAOYSA-N
XLogP0.54
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile (CID 79085068) is 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)CCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile?
The InChIKey is HAPNRWCQGZKCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-8-10-9-14-5-6-15(10)12(16)4-3-11-2-1-7-17-11/h1-2,7,10,14H,3-6,9H2.
What are the key properties of 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile?
1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).