(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide

C15H19FN2O3 — CID 94164900

IUPAC(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C15H19FN2O3/c1-10(21-13-6-4-12(16)5-7-13)15(20)18-8-2-3-11(9-18)14(17)19/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,19)/t10-,11+/m0/s1
InChIKeyOHIDHWDMYPJNGJ-WDEREUQCSA-N
MW294.33 g/mol
LogP1.32
Rot. Bonds4

About (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide

(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide (PubChem CID 94164900) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
PubChem CID94164900
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C15H19FN2O3/c1-10(21-13-6-4-12(16)5-7-13)15(20)18-8-2-3-11(9-18)14(17)19/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,19)/t10-,11+/m0/s1
InChIKeyOHIDHWDMYPJNGJ-WDEREUQCSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
(3R)-1-[(2R)-2-(3,5-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95167870
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxamide
CID 154634606
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
CID 42561053
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 17165814
2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000136
ethyl (3R)-1-[(2S)-2-(4-cyanophenoxy)propanoyl]piperidine-3-carboxylate
CID 94014547
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide (CID 94164900) is (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide is C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide?
The InChIKey is OHIDHWDMYPJNGJ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10(21-13-6-4-12(16)5-7-13)15(20)18-8-2-3-11(9-18)14(17)19/h4-7,10-11H,2-3,8-9H2,1H3,(H2,17,19)/t10-,11+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 94164900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).