1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide

C17H28N2O2 — CID 42940571

IUPAC1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C17H28N2O2/c1-11(2)10-13-14(17(13,3)4)16(21)19-8-6-12(7-9-19)15(20)18-5/h10,12-14H,6-9H2,1-5H3,(H,18,20)
InChIKeyXKVGDXBZDVPDKU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.21
Rot. Bonds3

About 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide

1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 42940571) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID42940571
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C17H28N2O2/c1-11(2)10-13-14(17(13,3)4)16(21)19-8-6-12(7-9-19)15(20)18-5/h10,12-14H,6-9H2,1-5H3,(H,18,20)
InChIKeyXKVGDXBZDVPDKU-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.21
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]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide (CID 42940571) is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1.
What is the InChIKey of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XKVGDXBZDVPDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)10-13-14(17(13,3)4)16(21)19-8-6-12(7-9-19)15(20)18-5/h10,12-14H,6-9H2,1-5H3,(H,18,20).
What are the key properties of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide?
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.21, 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]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42940571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).