[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C15H19N3O3 — CID 167944128

IUPAC[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESN[C@@H]1C[C@]2(C(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]12
InChIInChI=1S/C15H19N3O3/c16-11-9-15(8-10(11)15)14(20)18-5-3-17(4-6-18)13(19)12-2-1-7-21-12/h1-2,7,10-11H,3-6,8-9,16H2/t10-,11-,15-/m1/s1
InChIKeyVTTGUBFZSSTPCV-UEKVPHQBSA-N
MW289.33 g/mol
LogP0.30
Rot. Bonds2

About [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 167944128) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID167944128
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESN[C@@H]1C[C@]2(C(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]12
InChIInChI=1S/C15H19N3O3/c16-11-9-15(8-10(11)15)14(20)18-5-3-17(4-6-18)13(19)12-2-1-7-21-12/h1-2,7,10-11H,3-6,8-9,16H2/t10-,11-,15-/m1/s1
InChIKeyVTTGUBFZSSTPCV-UEKVPHQBSA-N
XLogP0.30
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
azepan-1-yl(furan-2-yl)methanone
CID 5200992
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978891
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
CID 46328246
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 30944839
[4-[(3aS,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carbonyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 133137607
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 167944128) is [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is N[C@@H]1C[C@]2(C(=O)N3CCN(C(=O)c4ccco4)CC3)C[C@H]12.
What is the InChIKey of [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is VTTGUBFZSSTPCV-UEKVPHQBSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-11-9-15(8-10(11)15)14(20)18-5-3-17(4-6-18)13(19)12-2-1-7-21-12/h1-2,7,10-11H,3-6,8-9,16H2/t10-,11-,15-/m1/s1.
What are the key properties of [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,3R,4S)-3-aminobicyclo[2.1.0]pentane-1-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 167944128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).