(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile

C13H21N3O2 — CID 97056228

IUPAC(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile
SMILESC[C@H]1CCCCN1C(=O)CN1CCOC[C@@H]1C#N
InChIInChI=1S/C13H21N3O2/c1-11-4-2-3-5-16(11)13(17)9-15-6-7-18-10-12(15)8-14/h11-12H,2-7,9-10H2,1H3/t11-,12-/m0/s1
InChIKeyAHCFODYWFHUFMQ-RYUDHWBXSA-N
MW251.33 g/mol
LogP0.61
Rot. Bonds2

About (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile

(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile (PubChem CID 97056228) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile
PubChem CID97056228
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile
SMILESC[C@H]1CCCCN1C(=O)CN1CCOC[C@@H]1C#N
InChIInChI=1S/C13H21N3O2/c1-11-4-2-3-5-16(11)13(17)9-15-6-7-18-10-12(15)8-14/h11-12H,2-7,9-10H2,1H3/t11-,12-/m0/s1
InChIKeyAHCFODYWFHUFMQ-RYUDHWBXSA-N
XLogP0.61
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 127687052
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
3-[[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-(oxan-4-yl)amino]propanenitrile
CID 97319188
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile?
The IUPAC name of (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile (CID 97056228) is (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile.
What is the SMILES notation for (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile?
The canonical SMILES for (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile is C[C@H]1CCCCN1C(=O)CN1CCOC[C@@H]1C#N.
What is the InChIKey of (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile?
The InChIKey is AHCFODYWFHUFMQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-4-2-3-5-16(11)13(17)9-15-6-7-18-10-12(15)8-14/h11-12H,2-7,9-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile?
(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile is sourced from PubChem (CID 97056228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).