(3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C15H18F4N2O2 — CID 97242296

IUPAC(3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCOc1cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1F
InChIInChI=1S/C15H18F4N2O2/c1-23-13-7-10(4-5-11(13)16)8-20-12-3-2-6-21(14(12)22)9-15(17,18)19/h4-5,7,12,20H,2-3,6,8-9H2,1H3/t12-/m1/s1
InChIKeyPQOGSFVJPAEUJR-GFCCVEGCSA-N
MW334.31 g/mol
LogP2.48
Rot. Bonds5

About (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one

(3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 97242296) has the molecular formula C15H18F4N2O2 and a molecular weight of 334.31 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID97242296
Molecular FormulaC15H18F4N2O2
Molecular Weight334.31 g/mol
Exact Mass334.13
IUPAC Name(3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCOc1cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1F
InChIInChI=1S/C15H18F4N2O2/c1-23-13-7-10(4-5-11(13)16)8-20-12-3-2-6-21(14(12)22)9-15(17,18)19/h4-5,7,12,20H,2-3,6,8-9H2,1H3/t12-/m1/s1
InChIKeyPQOGSFVJPAEUJR-GFCCVEGCSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-nitrophenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75386188
3-(5-chloro-2-methoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 84586099
3-[(3-fluoro-4-methoxyphenyl)methylamino]azepan-2-one
CID 60763102
2-methoxy-4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzonitrile
CID 106257106
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71836749
(3S)-3-[[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 124726403
N-[(3,4-dimethoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119127001
(3R)-3-(thian-4-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97104581
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71975576
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 115765572
N-(5-methoxy-1-methylpyrazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 138027045

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 97242296) is (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is COc1cc(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)ccc1F.
What is the InChIKey of (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is PQOGSFVJPAEUJR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F4N2O2/c1-23-13-7-10(4-5-11(13)16)8-20-12-3-2-6-21(14(12)22)9-15(17,18)19/h4-5,7,12,20H,2-3,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
(3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 334.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluoro-3-methoxyphenyl)methylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 97242296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).