N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C18H27FN2O3 — CID 111974572

IUPACN-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCC(CNC(=O)N1CCC(C(C)O)CC1)Oc1cccc(F)c1
InChIInChI=1S/C18H27FN2O3/c1-3-16(24-17-6-4-5-15(19)11-17)12-20-18(23)21-9-7-14(8-10-21)13(2)22/h4-6,11,13-14,16,22H,3,7-10,12H2,1-2H3,(H,20,23)
InChIKeyMIUROVZQXDQSHG-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111974572) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111974572
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCC(CNC(=O)N1CCC(C(C)O)CC1)Oc1cccc(F)c1
InChIInChI=1S/C18H27FN2O3/c1-3-16(24-17-6-4-5-15(19)11-17)12-20-18(23)21-9-7-14(8-10-21)13(2)22/h4-6,11,13-14,16,22H,3,7-10,12H2,1-2H3,(H,20,23)
InChIKeyMIUROVZQXDQSHG-UHFFFAOYSA-N
XLogP2.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 125131110
(3R)-N-[4-(3-fluorophenoxy)phenyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97351371
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
1-(cyclopropylmethyl)-3-[2-(3-fluorophenoxy)butyl]-2-methylguanidine
CID 109475245
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109475841
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109475984
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 109476333
N-[2-(3-fluorophenoxy)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71974055
(1R,2S,4R)-N-[(2S)-2-(3-fluorophenoxy)butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378500

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111974572) is N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CCC(CNC(=O)N1CCC(C(C)O)CC1)Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is MIUROVZQXDQSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-3-16(24-17-6-4-5-15(19)11-17)12-20-18(23)21-9-7-14(8-10-21)13(2)22/h4-6,11,13-14,16,22H,3,7-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111974572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).