(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C16H21F3N2O2 — CID 157016308

IUPAC(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)NCCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N2O2/c1-21-8-6-14(22)13(10-21)15(23)20-7-5-11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13-14,22H,5-8,10H2,1H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyMPBTYXDAOYQVQN-ZIAGYGMSSA-N
MW330.35 g/mol
LogP1.68
Rot. Bonds4

About (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 157016308) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID157016308
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)NCCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F3N2O2/c1-21-8-6-14(22)13(10-21)15(23)20-7-5-11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13-14,22H,5-8,10H2,1H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyMPBTYXDAOYQVQN-ZIAGYGMSSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940415
(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157020423
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124852434
(3R,4S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157014343
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
(6R)-N,1-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-6-carboxamide
CID 125012077
(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 166616622
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
(3R)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95725925
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 157016308) is (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is CN1CC[C@@H](O)[C@H](C(=O)NCCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is MPBTYXDAOYQVQN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21-8-6-14(22)13(10-21)15(23)20-7-5-11-3-2-4-12(9-11)16(17,18)19/h2-4,9,13-14,22H,5-8,10H2,1H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 157016308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).