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

C16H23FN2O2 — CID 119340615

IUPACN-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCCN1)Oc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-13(21-14-7-5-6-12(17)10-14)11-19-16(20)15-8-3-4-9-18-15/h5-7,10,13,15,18H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyBKWCQWSNIVRYPT-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.24
Rot. Bonds6

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

N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide (PubChem CID 119340615) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
PubChem CID119340615
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
SMILESCCC(CNC(=O)C1CCCCN1)Oc1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-2-13(21-14-7-5-6-12(17)10-14)11-19-16(20)15-8-3-4-9-18-15/h5-7,10,13,15,18H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyBKWCQWSNIVRYPT-UHFFFAOYSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 119344757
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
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
1-(cyclopropylmethyl)-3-[2-(3-fluorophenoxy)butyl]-2-methylguanidine
CID 109475245

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide (CID 119340615) is N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide is CCC(CNC(=O)C1CCCCN1)Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide?
The InChIKey is BKWCQWSNIVRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-2-13(21-14-7-5-6-12(17)10-14)11-19-16(20)15-8-3-4-9-18-15/h5-7,10,13,15,18H,2-4,8-9,11H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide?
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.24, 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]piperidine-2-carboxamide is sourced from PubChem (CID 119340615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).