(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone

C19H25FN4O2 — CID 97198728

IUPAC(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1noc(CC2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)n1
InChIInChI=1S/C19H25FN4O2/c1-13-21-17(26-22-13)11-14-7-9-24(10-8-14)19(25)18(23(2)3)15-5-4-6-16(20)12-15/h4-6,12,14,18H,7-11H2,1-3H3/t18-/m1/s1
InChIKeyRFRLYQHXZCYAMV-GOSISDBHSA-N
MW360.43 g/mol
LogP2.60
Rot. Bonds5

About (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone

(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 97198728) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
PubChem CID97198728
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1noc(CC2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)n1
InChIInChI=1S/C19H25FN4O2/c1-13-21-17(26-22-13)11-14-7-9-24(10-8-14)19(25)18(23(2)3)15-5-4-6-16(20)12-15/h4-6,12,14,18H,7-11H2,1-3H3/t18-/m1/s1
InChIKeyRFRLYQHXZCYAMV-GOSISDBHSA-N
XLogP2.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97285815
2-(dimethylamino)-1-[4-(ethoxymethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 72894693
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 97187875
1-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperidine-4-carbonitrile
CID 97205777
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 72869087
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247
ethyl 4-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 97189636
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
CID 97199367
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 97153427
2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 72933969
2-(dimethylamino)-2-(3-fluorophenyl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 170513208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone (CID 97198728) is (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is Cc1noc(CC2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)n1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is RFRLYQHXZCYAMV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13-21-17(26-22-13)11-14-7-9-24(10-8-14)19(25)18(23(2)3)15-5-4-6-16(20)12-15/h4-6,12,14,18H,7-11H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone?
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 360.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97198728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).