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

C14H25F3N2O2 — CID 104596442

IUPACN-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(C)CCCCN1
InChIInChI=1S/C14H25F3N2O2/c1-3-21-10-6-9-19(11-14(15,16)17)12(20)13(2)7-4-5-8-18-13/h18H,3-11H2,1-2H3
InChIKeyFAXURQFBWQFGSK-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.34
Rot. Bonds7

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

N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (PubChem CID 104596442) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
PubChem CID104596442
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(C)CCCCN1
InChIInChI=1S/C14H25F3N2O2/c1-3-21-10-6-9-19(11-14(15,16)17)12(20)13(2)7-4-5-8-18-13/h18H,3-11H2,1-2H3
InChIKeyFAXURQFBWQFGSK-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpiperidine-2-carboxamide
CID 113467728
2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596700
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
N,N-bis(2-cyanoethyl)-2-methylpiperidine-2-carboxamide
CID 104596505
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide (CID 104596442) is N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1(C)CCCCN1.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
The InChIKey is FAXURQFBWQFGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-21-10-6-9-19(11-14(15,16)17)12(20)13(2)7-4-5-8-18-13/h18H,3-11H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide?
N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide is sourced from PubChem (CID 104596442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).