N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide

C9H15F3N2O — CID 97170906

IUPACN-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCCCN1C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(15)13-6-8-4-2-3-5-14(8)9(10,11)12/h8H,2-6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyAYGOBGBQEBOUFF-MRVPVSSYSA-N
MW224.23 g/mol
LogP1.50
Rot. Bonds2

About N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide

N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide (PubChem CID 97170906) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide
PubChem CID97170906
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCCCN1C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(15)13-6-8-4-2-3-5-14(8)9(10,11)12/h8H,2-6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyAYGOBGBQEBOUFF-MRVPVSSYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
benzyl N-[[1-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 71648853
2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
CID 66567736
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 143059695
2-methyl-2-(methylamino)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62847121
N-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]acetamide
CID 66567586
N-[[1-[4-(3-methyldiazirin-3-yl)butanoyl]piperidin-2-yl]methyl]acetamide
CID 138006314
2-(ethylamino)-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62836518
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2,2,3,3-tetrafluoro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 103733780

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide (CID 97170906) is N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CCCCN1C(F)(F)F.
What is the InChIKey of N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide?
The InChIKey is AYGOBGBQEBOUFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(15)13-6-8-4-2-3-5-14(8)9(10,11)12/h8H,2-6H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide?
N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(trifluoromethyl)piperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 97170906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).