1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

C16H26N2O2 — CID 42930403

IUPAC1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-11(2)10-13-14(16(13,4)5)15(20)18-8-6-17(7-9-18)12(3)19/h10,13-14H,6-9H2,1-5H3
InChIKeyWFEWIQSOVCPRSB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds2

About 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone

1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (PubChem CID 42930403) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
PubChem CID42930403
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C16H26N2O2/c1-11(2)10-13-14(16(13,4)5)15(20)18-8-6-17(7-9-18)12(3)19/h10,13-14H,6-9H2,1-5H3
InChIKeyWFEWIQSOVCPRSB-UHFFFAOYSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone (CID 42930403) is 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1.
What is the InChIKey of 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
The InChIKey is WFEWIQSOVCPRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)10-13-14(16(13,4)5)15(20)18-8-6-17(7-9-18)12(3)19/h10,13-14H,6-9H2,1-5H3.
What are the key properties of 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone?
1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42930403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).