(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide

C16H20F4N2O2 — CID 97444960

IUPAC(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H20F4N2O2/c1-24-9-7-12-4-2-3-8-22(12)15(23)21-11-5-6-13(14(17)10-11)16(18,19)20/h5-6,10,12H,2-4,7-9H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyRXHQYEPMJZOPOH-LBPRGKRZSA-N
MW348.34 g/mol
LogP4.27
Rot. Bonds4

About (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide

(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 97444960) has the molecular formula C16H20F4N2O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID97444960
Molecular FormulaC16H20F4N2O2
Molecular Weight348.34 g/mol
Exact Mass348.15
IUPAC Name(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H20F4N2O2/c1-24-9-7-12-4-2-3-8-22(12)15(23)21-11-5-6-13(14(17)10-11)16(18,19)20/h5-6,10,12H,2-4,7-9H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyRXHQYEPMJZOPOH-LBPRGKRZSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560
(2R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97010864
methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 146337052
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 119059677
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
CID 118763336
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56827021

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide (CID 97444960) is (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide is COCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is RXHQYEPMJZOPOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20F4N2O2/c1-24-9-7-12-4-2-3-8-22(12)15(23)21-11-5-6-13(14(17)10-11)16(18,19)20/h5-6,10,12H,2-4,7-9H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide?
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 348.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97444960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).