1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide

C16H26N2O2 — CID 56810658

IUPAC1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESCC(C)=CC1C(C(=O)N2CCCC(C(N)=O)C2)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)8-12-13(16(12,3)4)15(20)18-7-5-6-11(9-18)14(17)19/h8,11-13H,5-7,9H2,1-4H3,(H2,17,19)
InChIKeyVOYSZMAAJWTKOG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.95
Rot. Bonds3

About 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide

1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide (PubChem CID 56810658) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide
PubChem CID56810658
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESCC(C)=CC1C(C(=O)N2CCCC(C(N)=O)C2)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)8-12-13(16(12,3)4)15(20)18-7-5-6-11(9-18)14(17)19/h8,11-13H,5-7,9H2,1-4H3,(H2,17,19)
InChIKeyVOYSZMAAJWTKOG-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide (CID 56810658) is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide is CC(C)=CC1C(C(=O)N2CCCC(C(N)=O)C2)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The InChIKey is VOYSZMAAJWTKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)8-12-13(16(12,3)4)15(20)18-7-5-6-11(9-18)14(17)19/h8,11-13H,5-7,9H2,1-4H3,(H2,17,19).
What are the key properties of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 56810658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).