[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H22N2O3 — CID 95588006

IUPAC[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-15-6-4-14(5-7-15)20-8-10-21(11-9-20)19(22)17-13-16(17)18-3-2-12-24-18/h2-7,12,16-17H,8-11,13H2,1H3/t16-,17-/m1/s1
InChIKeyKVABGWBKXJQSIB-IAGOWNOFSA-N
MW326.40 g/mol
LogP2.74
Rot. Bonds4

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

[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 95588006) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID95588006
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-15-6-4-14(5-7-15)20-8-10-21(11-9-20)19(22)17-13-16(17)18-3-2-12-24-18/h2-7,12,16-17H,8-11,13H2,1H3/t16-,17-/m1/s1
InChIKeyKVABGWBKXJQSIB-IAGOWNOFSA-N
XLogP2.74
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 95588070
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95588176
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51291775
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 98330437
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003
2-bicyclo[2.2.1]heptanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51261936
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
(1S,2R,3S,4S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98368835
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 95588006) is [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1.
What is the InChIKey of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KVABGWBKXJQSIB-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-15-6-4-14(5-7-15)20-8-10-21(11-9-20)19(22)17-13-16(17)18-3-2-12-24-18/h2-7,12,16-17H,8-11,13H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95588006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).