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

C18H21N3O2 — CID 95588197

IUPAC[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(16-12-15(16)17-5-3-11-23-17)21-9-7-20(8-10-21)13-14-4-1-2-6-19-14/h1-6,11,15-16H,7-10,12-13H2/t15-,16+/m1/s1
InChIKeyZSVAZYPOXRALCI-CVEARBPZSA-N
MW311.38 g/mol
LogP2.12
Rot. Bonds4

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

[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 95588197) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID95588197
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H21N3O2/c22-18(16-12-15(16)17-5-3-11-23-17)21-9-7-20(8-10-21)13-14-4-1-2-6-19-14/h1-6,11,15-16H,7-10,12-13H2/t15-,16+/m1/s1
InChIKeyZSVAZYPOXRALCI-CVEARBPZSA-N
XLogP2.12
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

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-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 95588252
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 95601956
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95588558
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852812
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
trans-(1S,2S)-2-(furan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 97314930

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 95588197) is [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ZSVAZYPOXRALCI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(16-12-15(16)17-5-3-11-23-17)21-9-7-20(8-10-21)13-14-4-1-2-6-19-14/h1-6,11,15-16H,7-10,12-13H2/t15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.12, 4 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-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95588197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).