(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide

C15H19FN2O3 — CID 94482779

IUPAC(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-10-6-7-11(15(17)20)8-18(10)14(19)9-21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,17,20)/t10-,11-/m1/s1
InChIKeyKXGVGHZDOCBIFO-GHMZBOCLSA-N
MW294.33 g/mol
LogP1.32
Rot. Bonds4

About (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide (PubChem CID 94482779) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
PubChem CID94482779
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-10-6-7-11(15(17)20)8-18(10)14(19)9-21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,17,20)/t10-,11-/m1/s1
InChIKeyKXGVGHZDOCBIFO-GHMZBOCLSA-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

(3S,6S)-1-[2-(2-ethylphenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94809382
(3R,6R)-1-[2-(2,5-dichlorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide
CID 94472229
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
CID 90512384
1-(3-aminopropanoyl)-6-methylpiperidine-3-carboxamide;hydrochloride
CID 119291566
(3S,6R)-1-[2-[4-(cyanomethyl)phenoxy]acetyl]-6-methylpiperidine-3-carboxamide
CID 94482510
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone;hydrochloride
CID 119436216
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide (CID 94482779) is (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccccc1F.
What is the InChIKey of (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is KXGVGHZDOCBIFO-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-6-7-11(15(17)20)8-18(10)14(19)9-21-13-5-3-2-4-12(13)16/h2-5,10-11H,6-9H2,1H3,(H2,17,20)/t10-,11-/m1/s1.
What are the key properties of (3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-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,6R)-1-[2-(2-fluorophenoxy)acetyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 94482779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).