3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide

C16H21F3N2O2 — CID 111117330

IUPAC3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C16H21F3N2O2/c1-11(20-15(23)21-8-2-3-14(22)10-21)9-12-4-6-13(7-5-12)16(17,18)19/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyHKJXPRRAIRLNOI-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.80
Rot. Bonds3

About 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide

3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide (PubChem CID 111117330) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
PubChem CID111117330
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C16H21F3N2O2/c1-11(20-15(23)21-8-2-3-14(22)10-21)9-12-4-6-13(7-5-12)16(17,18)19/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyHKJXPRRAIRLNOI-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
CID 110896289
(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 95969356
3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 110894959
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119395730
1,1-dioxo-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]-3,5-dihydro-2H-1λ6,4-benzothiazepine-4-carboxamide
CID 139007576
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
(2R,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125138913
(2S,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125152598

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide (CID 111117330) is 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
The InChIKey is HKJXPRRAIRLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11(20-15(23)21-8-2-3-14(22)10-21)9-12-4-6-13(7-5-12)16(17,18)19/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide?
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 111117330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).