N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide

C17H32N2O2 — CID 91643010

IUPACN-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCCOC2CCCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-14-11-15(2)13-19(12-14)17(20)18-9-10-21-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyCNMOAOSUCHCXIN-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.41
Rot. Bonds4

About N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide

N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 91643010) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID91643010
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC NameN-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCCOC2CCCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-14-11-15(2)13-19(12-14)17(20)18-9-10-21-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyCNMOAOSUCHCXIN-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide (CID 91643010) is N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)NCCOC2CCCCCC2)C1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is CNMOAOSUCHCXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14-11-15(2)13-19(12-14)17(20)18-9-10-21-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide?
N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 91643010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).