N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H25F3N2O2 — CID 63122034

IUPACN-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(C)CCNCC1
InChIInChI=1S/C14H25F3N2O2/c1-3-21-10-4-9-19(11-14(15,16)17)12(20)13(2)5-7-18-8-6-13/h18H,3-11H2,1-2H3
InChIKeyCBUIZDAXDOICCV-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

About N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 63122034) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID63122034
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(C)CCNCC1
InChIInChI=1S/C14H25F3N2O2/c1-3-21-10-4-9-19(11-14(15,16)17)12(20)13(2)5-7-18-8-6-13/h18H,3-11H2,1-2H3
InChIKeyCBUIZDAXDOICCV-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 63122034) is N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1(C)CCNCC1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is CBUIZDAXDOICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-21-10-4-9-19(11-14(15,16)17)12(20)13(2)5-7-18-8-6-13/h18H,3-11H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 63122034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).