4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide

C10H17F3N2O2 — CID 82722066

IUPAC4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
SMILESCCC1(C(=O)NOCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H17F3N2O2/c1-2-9(3-5-14-6-4-9)8(16)15-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyRQPIHZYSDNXWQT-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.38
Rot. Bonds4

About 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide

4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide (PubChem CID 82722066) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
PubChem CID82722066
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
SMILESCCC1(C(=O)NOCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H17F3N2O2/c1-2-9(3-5-14-6-4-9)8(16)15-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyRQPIHZYSDNXWQT-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-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

4-ethyl-N-methoxypiperidine-4-carboxamide
CID 64974919
2-[(4-ethylpiperidine-4-carbonyl)amino]ethyl carbamate
CID 83211105
4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 63127198
1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
CID 81339751
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)piperidine-4-carboxamide
CID 106188179
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885
2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258002
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001579
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79798379

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide (CID 82722066) is 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide is CCC1(C(=O)NOCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The InChIKey is RQPIHZYSDNXWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-9(3-5-14-6-4-9)8(16)15-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide is sourced from PubChem (CID 82722066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).