(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide

C16H19F3N2O3 — CID 172675159

IUPAC(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H19F3N2O3/c1-24-13-5-4-12(16(17,18)19)7-11(13)8-14(22)21-6-2-3-10(9-21)15(20)23/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,20,23)/t10-/m0/s1
InChIKeyPQPPRBLQDZEENG-JTQLQIEISA-N
MW344.33 g/mol
LogP1.98
Rot. Bonds4

About (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide

(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide (PubChem CID 172675159) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
PubChem CID172675159
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H19F3N2O3/c1-24-13-5-4-12(16(17,18)19)7-11(13)8-14(22)21-6-2-3-10(9-21)15(20)23/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,20,23)/t10-/m0/s1
InChIKeyPQPPRBLQDZEENG-JTQLQIEISA-N
XLogP1.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide 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

(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009454
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 51519873
3-(2-methoxyphenyl)-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 45171215
2-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276974
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 9201496
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 9020017
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide (CID 172675159) is (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide is COc1ccc(C(F)(F)F)cc1CC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide?
The InChIKey is PQPPRBLQDZEENG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-24-13-5-4-12(16(17,18)19)7-11(13)8-14(22)21-6-2-3-10(9-21)15(20)23/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,20,23)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide?
(3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).