N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide

C16H19F3N2O2 — CID 94667832

IUPACN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c1-11(15(23)21-8-3-2-4-9-21)20-14(22)12-6-5-7-13(10-12)16(17,18)19/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyVXSLRWVIPUTUMM-NSHDSACASA-N
MW328.33 g/mol
LogP2.84
Rot. Bonds3

About N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide

N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 94667832) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID94667832
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c1-11(15(23)21-8-3-2-4-9-21)20-14(22)12-6-5-7-13(10-12)16(17,18)19/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyVXSLRWVIPUTUMM-NSHDSACASA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55586100
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 52505990
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 110347682
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
CID 8750240
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide (CID 94667832) is N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide is C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VXSLRWVIPUTUMM-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-11(15(23)21-8-3-2-4-9-21)20-14(22)12-6-5-7-13(10-12)16(17,18)19/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide?
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 328.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 94667832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).