(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H20N2O2 — CID 47024442

IUPAC(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-5-7-15(8-6-14)13(16)12-4-9-17-11(12)3/h4,9-10H,5-8H2,1-3H3
InChIKeyAVUVNKSOGOQZML-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds2

About (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 47024442) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID47024442
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H20N2O2/c1-10(2)14-5-7-15(8-6-14)13(16)12-4-9-17-11(12)3/h4,9-10H,5-8H2,1-3H3
InChIKeyAVUVNKSOGOQZML-UHFFFAOYSA-N
XLogP1.75
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 95312025
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 17233989
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80660536
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 43252022
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 162486514
2-methyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 46579880
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 47024442) is (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1occc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is AVUVNKSOGOQZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)14-5-7-15(8-6-14)13(16)12-4-9-17-11(12)3/h4,9-10H,5-8H2,1-3H3.
What are the key properties of (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 47024442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).