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

C20H34N2O3 — CID 51123161

IUPAC1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C20H34N2O3/c1-14(2)13-16-17(20(16,3)4)19(24)22-10-7-15(8-11-22)18(23)21-9-6-12-25-5/h13,15-17H,6-12H2,1-5H3,(H,21,23)
InChIKeyGKIASPQCLXIMTF-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.62
Rot. Bonds7

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

1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 51123161) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID51123161
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)C2C(C=C(C)C)C2(C)C)CC1
InChIInChI=1S/C20H34N2O3/c1-14(2)13-16-17(20(16,3)4)19(24)22-10-7-15(8-11-22)18(23)21-9-6-12-25-5/h13,15-17H,6-12H2,1-5H3,(H,21,23)
InChIKeyGKIASPQCLXIMTF-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 51123161) is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=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-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is GKIASPQCLXIMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-14(2)13-16-17(20(16,3)4)19(24)22-10-7-15(8-11-22)18(23)21-9-6-12-25-5/h13,15-17H,6-12H2,1-5H3,(H,21,23).
What are the key properties of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 350.50 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 51123161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).