N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide

C16H31N2O+ — CID 6939250

IUPACN-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CC[NH+](CC(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-6-18(12-14(4)5)16(19)15-7-9-17(10-8-15)11-13(2)3/h13,15H,4,6-12H2,1-3,5H3/p+1
InChIKeyVLACZINVFZEXLE-UHFFFAOYSA-O
MW267.44 g/mol
LogP1.36
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide

N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide (PubChem CID 6939250) has the molecular formula C16H31N2O+ and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide
PubChem CID6939250
Molecular FormulaC16H31N2O+
Molecular Weight267.44 g/mol
Exact Mass267.24
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1CC[NH+](CC(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-6-18(12-14(4)5)16(19)15-7-9-17(10-8-15)11-13(2)3/h13,15H,4,6-12H2,1-3,5H3/p+1
InChIKeyVLACZINVFZEXLE-UHFFFAOYSA-O
XLogP1.36
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide (CID 6939250) is N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide is C=C(C)CN(CC)C(=O)C1CC[NH+](CC(C)C)CC1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
The InChIKey is VLACZINVFZEXLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30N2O/c1-6-18(12-14(4)5)16(19)15-7-9-17(10-8-15)11-13(2)3/h13,15H,4,6-12H2,1-3,5H3/p+1.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide?
N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide has a molecular weight of 267.44 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6939250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).