(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone

C13H19N3O2 — CID 66203007

IUPAC(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCc1ccoc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H19N3O2/c1-10-2-7-18-12(10)13(17)16-8-11(9-16)15-5-3-14-4-6-15/h2,7,11,14H,3-6,8-9H2,1H3
InChIKeyPZZLQDHEZSVATR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.32
Rot. Bonds2

About (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone

(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 66203007) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID66203007
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCc1ccoc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H19N3O2/c1-10-2-7-18-12(10)13(17)16-8-11(9-16)15-5-3-14-4-6-15/h2,7,11,14H,3-6,8-9H2,1H3
InChIKeyPZZLQDHEZSVATR-UHFFFAOYSA-N
XLogP0.32
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 82883104
(5-methyl-1,2-oxazol-3-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66201861
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 79507269
(2-bromo-5-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 81111440
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
[3-(phenoxymethyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997487
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 66203007) is (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is Cc1ccoc1C(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is PZZLQDHEZSVATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-7-18-12(10)13(17)16-8-11(9-16)15-5-3-14-4-6-15/h2,7,11,14H,3-6,8-9H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 66203007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).