[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone

C12H17N3O2 — CID 82510545

IUPAC[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(NC2CC2)o1)N1CCNCC1
InChIInChI=1S/C12H17N3O2/c16-12(15-7-5-13-6-8-15)10-3-4-11(17-10)14-9-1-2-9/h3-4,9,13-14H,1-2,5-8H2
InChIKeyKESULKGJJJZSME-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.90
Rot. Bonds3

About [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone

[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone (PubChem CID 82510545) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone
PubChem CID82510545
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(NC2CC2)o1)N1CCNCC1
InChIInChI=1S/C12H17N3O2/c16-12(15-7-5-13-6-8-15)10-3-4-11(17-10)14-9-1-2-9/h3-4,9,13-14H,1-2,5-8H2
InChIKeyKESULKGJJJZSME-UHFFFAOYSA-N
XLogP0.90
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)furan-2-carboxylic acid
CID 62207046
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
CID 120996909
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 44585671
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
5-(4-propan-2-ylpiperidine-1-carbonyl)furan-2-carboxylic acid
CID 113354315
5-[(1-methyl-6-oxopiperidin-3-yl)amino]furan-2-carboxylic acid
CID 64669427
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone (CID 82510545) is [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone is O=C(c1ccc(NC2CC2)o1)N1CCNCC1.
What is the InChIKey of [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KESULKGJJJZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(15-7-5-13-6-8-15)10-3-4-11(17-10)14-9-1-2-9/h3-4,9,13-14H,1-2,5-8H2.
What are the key properties of [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone?
[5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone has a molecular weight of 235.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylamino)furan-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82510545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).