4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide

C16H21F3N2O3 — CID 119769282

IUPAC4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(O)(c2ccccc2)C(F)(F)F)CCNCC1
InChIInChI=1S/C16H21F3N2O3/c1-24-14(7-9-20-10-8-14)13(22)21-11-15(23,16(17,18)19)12-5-3-2-4-6-12/h2-6,20,23H,7-11H2,1H3,(H,21,22)
InChIKeyDBNSYZQVSXPHCT-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.32
Rot. Bonds5

About 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide

4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide (PubChem CID 119769282) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
PubChem CID119769282
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(O)(c2ccccc2)C(F)(F)F)CCNCC1
InChIInChI=1S/C16H21F3N2O3/c1-24-14(7-9-20-10-8-14)13(22)21-11-15(23,16(17,18)19)12-5-3-2-4-6-12/h2-6,20,23H,7-11H2,1H3,(H,21,22)
InChIKeyDBNSYZQVSXPHCT-UHFFFAOYSA-N
XLogP1.32
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
N-[2-(benzenesulfonamido)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119704269
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
CID 119706107

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide (CID 119769282) is 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide is COC1(C(=O)NCC(O)(c2ccccc2)C(F)(F)F)CCNCC1.
What is the InChIKey of 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is DBNSYZQVSXPHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-24-14(7-9-20-10-8-14)13(22)21-11-15(23,16(17,18)19)12-5-3-2-4-6-12/h2-6,20,23H,7-11H2,1H3,(H,21,22).
What are the key properties of 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide?
4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 119769282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).