N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide

C9H19N2O2+ — CID 165024286

IUPACN-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide
SMILESCON(C)C(=O)C1CC[NH2+]CC1C
InChIInChI=1S/C9H18N2O2/c1-7-6-10-5-4-8(7)9(12)11(2)13-3/h7-8,10H,4-6H2,1-3H3/p+1
InChIKeyLQEUJZRFDSEDLT-UHFFFAOYSA-O
MW187.26 g/mol
LogP-0.77
Rot. Bonds2

About N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide

N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide (PubChem CID 165024286) has the molecular formula C9H19N2O2+ and a molecular weight of 187.26 g/mol. Its IUPAC name is N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide
PubChem CID165024286
Molecular FormulaC9H19N2O2+
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide
SMILESCON(C)C(=O)C1CC[NH2+]CC1C
InChIInChI=1S/C9H18N2O2/c1-7-6-10-5-4-8(7)9(12)11(2)13-3/h7-8,10H,4-6H2,1-3H3/p+1
InChIKeyLQEUJZRFDSEDLT-UHFFFAOYSA-O
XLogP-0.77
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide?
The IUPAC name of N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide (CID 165024286) is N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide is CON(C)C(=O)C1CC[NH2+]CC1C.
What is the InChIKey of N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide?
The InChIKey is LQEUJZRFDSEDLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O2/c1-7-6-10-5-4-8(7)9(12)11(2)13-3/h7-8,10H,4-6H2,1-3H3/p+1.
What are the key properties of N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide?
N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide has a molecular weight of 187.26 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3-dimethylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 165024286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).