(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide

C16H21F3N2O3 — CID 95768258

IUPAC(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
SMILESCOC[C@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3N2O3/c1-23-10-12-3-2-8-21(9-12)15(22)20-13-4-6-14(7-5-13)24-11-16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyIIJFSUCYLMCHPY-LBPRGKRZSA-N
MW346.35 g/mol
LogP3.52
Rot. Bonds5

About (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide

(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 95768258) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
PubChem CID95768258
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
SMILESCOC[C@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3N2O3/c1-23-10-12-3-2-8-21(9-12)15(22)20-13-4-6-14(7-5-13)24-11-16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyIIJFSUCYLMCHPY-LBPRGKRZSA-N
XLogP3.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599250
4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
CID 86988135
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
3-[(4-hydroxyphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 71060222
3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 111443082
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide (CID 95768258) is (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide is COC[C@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is IIJFSUCYLMCHPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-10-12-3-2-8-21(9-12)15(22)20-13-4-6-14(7-5-13)24-11-16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide?
(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 95768258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).