1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide

C14H27N2O+ — CID 163448872

IUPAC1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide
SMILESCC[N+]1(C2CCCCC2)CCCC(C(N)=O)C1
InChIInChI=1S/C14H26N2O/c1-2-16(13-8-4-3-5-9-13)10-6-7-12(11-16)14(15)17/h12-13H,2-11H2,1H3,(H-,15,17)/p+1
InChIKeyPDZFBCSWLNYLIS-UHFFFAOYSA-O
MW239.38 g/mol
LogP2.05
Rot. Bonds3

About 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide

1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide (PubChem CID 163448872) has the molecular formula C14H27N2O+ and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide
PubChem CID163448872
Molecular FormulaC14H27N2O+
Molecular Weight239.38 g/mol
Exact Mass239.21
IUPAC Name1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide
SMILESCC[N+]1(C2CCCCC2)CCCC(C(N)=O)C1
InChIInChI=1S/C14H26N2O/c1-2-16(13-8-4-3-5-9-13)10-6-7-12(11-16)14(15)17/h12-13H,2-11H2,1H3,(H-,15,17)/p+1
InChIKeyPDZFBCSWLNYLIS-UHFFFAOYSA-O
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide?
The IUPAC name of 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide (CID 163448872) is 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide is CC[N+]1(C2CCCCC2)CCCC(C(N)=O)C1.
What is the InChIKey of 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide?
The InChIKey is PDZFBCSWLNYLIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2O/c1-2-16(13-8-4-3-5-9-13)10-6-7-12(11-16)14(15)17/h12-13H,2-11H2,1H3,(H-,15,17)/p+1.
What are the key properties of 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide?
1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide has a molecular weight of 239.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethylpiperidin-1-ium-3-carboxamide is sourced from PubChem (CID 163448872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).