4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

C16H22F3N3O2 — CID 111446778

IUPAC4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESCN(CCCO)C1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-21(7-2-10-23)11-5-8-22(9-6-11)16(24)20-13-4-3-12(17)14(18)15(13)19/h3-4,11,23H,2,5-10H2,1H3,(H,20,24)
InChIKeyWNWUIZJYRUCTRH-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.41
Rot. Bonds5

About 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 111446778) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
PubChem CID111446778
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESCN(CCCO)C1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-21(7-2-10-23)11-5-8-22(9-6-11)16(24)20-13-4-3-12(17)14(18)15(13)19/h3-4,11,23H,2,5-10H2,1H3,(H,20,24)
InChIKeyWNWUIZJYRUCTRH-UHFFFAOYSA-N
XLogP2.41
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892
3-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-1-carboxamide
CID 111442897
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
4-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011
3,5-dimethyl-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 108892509
4-[3-hydroxypropyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 111383894
4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 5198504
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
4-(1,1-dioxothiolan-3-yl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113109677

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (CID 111446778) is 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is CN(CCCO)C1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is WNWUIZJYRUCTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21(7-2-10-23)11-5-8-22(9-6-11)16(24)20-13-4-3-12(17)14(18)15(13)19/h3-4,11,23H,2,5-10H2,1H3,(H,20,24).
What are the key properties of 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxypropyl(methyl)amino]-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 111446778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).