[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone

C19H26N2O3 — CID 32534550

IUPAC[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)=C[C@H]1[C@H](C(=O)N2CCN(C(=O)c3ccoc3)CC2)C1(C)C
InChIInChI=1S/C19H26N2O3/c1-13(2)11-15-16(19(15,3)4)18(23)21-8-6-20(7-9-21)17(22)14-5-10-24-12-14/h5,10-12,15-16H,6-9H2,1-4H3/t15-,16+/m0/s1
InChIKeyOSZPBPRDVYKEFS-JKSUJKDBSA-N
MW330.43 g/mol
LogP2.80
Rot. Bonds3

About [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone

[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 32534550) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
PubChem CID32534550
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)=C[C@H]1[C@H](C(=O)N2CCN(C(=O)c3ccoc3)CC2)C1(C)C
InChIInChI=1S/C19H26N2O3/c1-13(2)11-15-16(19(15,3)4)18(23)21-8-6-20(7-9-21)17(22)14-5-10-24-12-14/h5,10-12,15-16H,6-9H2,1-4H3/t15-,16+/m0/s1
InChIKeyOSZPBPRDVYKEFS-JKSUJKDBSA-N
XLogP2.80
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone (CID 32534550) is [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone is CC(C)=C[C@H]1[C@H](C(=O)N2CCN(C(=O)c3ccoc3)CC2)C1(C)C.
What is the InChIKey of [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is OSZPBPRDVYKEFS-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)11-15-16(19(15,3)4)18(23)21-8-6-20(7-9-21)17(22)14-5-10-24-12-14/h5,10-12,15-16H,6-9H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone?
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32534550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).