[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone

C16H22N2O2 — CID 7262090

IUPAC[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C16H22N2O2/c19-16(15-2-1-9-20-15)18-7-5-17(6-8-18)14-11-12-3-4-13(14)10-12/h1-2,9,12-14H,3-8,10-11H2/t12-,13-,14+/m0/s1
InChIKeyJNBIVZBQVAGIIN-MELADBBJSA-N
MW274.36 g/mol
LogP2.23
Rot. Bonds2

About [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7262090) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7262090
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C16H22N2O2/c19-16(15-2-1-9-20-15)18-7-5-17(6-8-18)14-11-12-3-4-13(14)10-12/h1-2,9,12-14H,3-8,10-11H2/t12-,13-,14+/m0/s1
InChIKeyJNBIVZBQVAGIIN-MELADBBJSA-N
XLogP2.23
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide
CID 18558127
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide
CID 2474654
4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[3-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 98344798
furan-2-yl-[4-[(1R,3R)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 764347
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 71907901
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111168353
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 71924800
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
3-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methyloxolan-2-one
CID 47131799
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 7262090) is [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JNBIVZBQVAGIIN-MELADBBJSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-2-1-9-20-15)18-7-5-17(6-8-18)14-11-12-3-4-13(14)10-12/h1-2,9,12-14H,3-8,10-11H2/t12-,13-,14+/m0/s1.
What are the key properties of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7262090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).