[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H19N3O2 — CID 95588003

IUPAC[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(14-12-13(14)15-4-3-11-22-15)20-9-7-19(8-10-20)16-5-1-2-6-18-16/h1-6,11,13-14H,7-10,12H2/t13-,14+/m1/s1
InChIKeyOAZWFQBTCSAQHW-KGLIPLIRSA-N
MW297.36 g/mol
LogP2.13
Rot. Bonds3

About [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 95588003) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID95588003
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(14-12-13(14)15-4-3-11-22-15)20-9-7-19(8-10-20)16-5-1-2-6-18-16/h1-6,11,13-14H,7-10,12H2/t13-,14+/m1/s1
InChIKeyOAZWFQBTCSAQHW-KGLIPLIRSA-N
XLogP2.13
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95588243
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95588176
1-[4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95760466
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
(1S,2R,3S,4S)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98267170
(1S,2R,3S,4R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51400612

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 95588003) is [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OAZWFQBTCSAQHW-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(14-12-13(14)15-4-3-11-22-15)20-9-7-19(8-10-20)16-5-1-2-6-18-16/h1-6,11,13-14H,7-10,12H2/t13-,14+/m1/s1.
What are the key properties of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 95588003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).