3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide

C16H21F4N3O2 — CID 72931767

IUPAC3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C)CC1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C16H21F4N3O2/c1-22(2)9-15(25)6-3-7-23(10-15)14(24)21-11-4-5-12(13(17)8-11)16(18,19)20/h4-5,8,25H,3,6-7,9-10H2,1-2H3,(H,21,24)
InChIKeyJDJZIFNQIQLBBW-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.76
Rot. Bonds3

About 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide

3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 72931767) has the molecular formula C16H21F4N3O2 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID72931767
Molecular FormulaC16H21F4N3O2
Molecular Weight363.36 g/mol
Exact Mass363.16
IUPAC Name3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C)CC1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C16H21F4N3O2/c1-22(2)9-15(25)6-3-7-23(10-15)14(24)21-11-4-5-12(13(17)8-11)16(18,19)20/h4-5,8,25H,3,6-7,9-10H2,1-2H3,(H,21,24)
InChIKeyJDJZIFNQIQLBBW-UHFFFAOYSA-N
XLogP2.76
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-acetamido-4-fluorophenyl)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carboxamide
CID 97436375
(3R)-3-[(dimethylamino)methyl]-N-(3-fluoro-4-methylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97453605
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
(4R)-4-[(dimethylamino)methyl]-4-hydroxy-N-(3-methoxyphenyl)azepane-1-carboxamide
CID 95723564
(4R)-N-(3-benzylphenyl)-4-[(dimethylamino)methyl]-4-hydroxyazepane-1-carboxamide
CID 97283744
1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
CID 86819884
N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161006
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 25104486
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
methyl 3-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 146337052

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide (CID 72931767) is 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide is CN(C)CC1(O)CCCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is JDJZIFNQIQLBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N3O2/c1-22(2)9-15(25)6-3-7-23(10-15)14(24)21-11-4-5-12(13(17)8-11)16(18,19)20/h4-5,8,25H,3,6-7,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 72931767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).