N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide

C18H20FN3O3 — CID 71845869

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCCC1CO
InChIInChI=1S/C18H20FN3O3/c19-13-4-7-16(8-5-13)25-17-9-6-14(11-20-17)21-18(24)22-10-2-1-3-15(22)12-23/h4-9,11,15,23H,1-3,10,12H2,(H,21,24)
InChIKeyZINRUFZPEYNDSL-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.39
Rot. Bonds4

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71845869) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71845869
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCCC1CO
InChIInChI=1S/C18H20FN3O3/c19-13-4-7-16(8-5-13)25-17-9-6-14(11-20-17)21-18(24)22-10-2-1-3-15(22)12-23/h4-9,11,15,23H,1-3,10,12H2,(H,21,24)
InChIKeyZINRUFZPEYNDSL-UHFFFAOYSA-N
XLogP3.39
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 97444411
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
1-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849090
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide (CID 71845869) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCCC1CO.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is ZINRUFZPEYNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-4-7-16(8-5-13)25-17-9-6-14(11-20-17)21-18(24)22-10-2-1-3-15(22)12-23/h4-9,11,15,23H,1-3,10,12H2,(H,21,24).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71845869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).