(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide

C16H23FN2O3 — CID 97025731

IUPAC(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1ccccc1F
InChIInChI=1S/C16H23FN2O3/c1-2-13(22-15-8-4-3-7-14(15)17)10-18-16(21)19-9-5-6-12(20)11-19/h3-4,7-8,12-13,20H,2,5-6,9-11H2,1H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyXVRVRJCQKLIJNY-CHWSQXEVSA-N
MW310.37 g/mol
LogP2.15
Rot. Bonds5

About (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide

(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 97025731) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID97025731
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1ccccc1F
InChIInChI=1S/C16H23FN2O3/c1-2-13(22-15-8-4-3-7-14(15)17)10-18-16(21)19-9-5-6-12(20)11-19/h3-4,7-8,12-13,20H,2,5-6,9-11H2,1H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyXVRVRJCQKLIJNY-CHWSQXEVSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
(3aS,6aR)-2-[2-(2-fluorophenoxy)butylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122005144
N-[2-(2-fluorophenoxy)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111752920
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968686
(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972675
(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide (CID 97025731) is (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide is CC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1ccccc1F.
What is the InChIKey of (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is XVRVRJCQKLIJNY-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-13(22-15-8-4-3-7-14(15)17)10-18-16(21)19-9-5-6-12(20)11-19/h3-4,7-8,12-13,20H,2,5-6,9-11H2,1H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide?
(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 97025731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).