N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C9H15F3N2O — CID 62732802

IUPACN-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-2-14-5-3-7(4-6-14)13-8(15)9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyQWERODHUJNKLSO-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds2

About N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 62732802) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID62732802
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-2-14-5-3-7(4-6-14)13-8(15)9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyQWERODHUJNKLSO-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetamidopiperidine
CID 1445156
1-Acetyl-N-cyclopropylpiperidin-4-amine
CID 2735241
1-(4-Aminopiperidin-1-yl)ethan-1-one
CID 4962477
1-Acetyl-4-(methylamino)piperidine
CID 19761265
Propanamide, N-4-piperidinyl-
CID 1445175
N-(1-propanoylpiperidin-4-yl)acetamide
CID 46228315
N-(1-acetylpiperidin-4-yl)propanamide
CID 46228316
N-[1-(propan-2-yl)piperidin-4-yl]acetamide
CID 21132014
2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
4-Acetamidopiperidine dihydrochloride
CID 11401105
1-Acetyl-4-aminopiperidine hydrochloride
CID 17221642
N-methyl-N-(piperidin-4-yl)acetamide hydrochloride
CID 22061317

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 62732802) is N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide is CCN1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is QWERODHUJNKLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-14-5-3-7(4-6-14)13-8(15)9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).