1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one

C18H23N3O3 — CID 95721558

IUPAC1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)[C@@H]3CNCCO3)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-20-14-5-3-2-4-13(14)18(17(20)23)6-9-21(10-7-18)16(22)15-12-19-8-11-24-15/h2-5,15,19H,6-12H2,1H3/t15-/m0/s1
InChIKeyMVWFXDPTXYTZGE-HNNXBMFYSA-N
MW329.40 g/mol
LogP0.51
Rot. Bonds1

About 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 95721558) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID95721558
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)[C@@H]3CNCCO3)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-20-14-5-3-2-4-13(14)18(17(20)23)6-9-21(10-7-18)16(22)15-12-19-8-11-24-15/h2-5,15,19H,6-12H2,1H3/t15-/m0/s1
InChIKeyMVWFXDPTXYTZGE-HNNXBMFYSA-N
XLogP0.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1'-(2-morpholin-2-ylacetyl)spiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 154893621
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
1'-[(4aR,6S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carbonyl]-1-methylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 163333575
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
morpholin-2-yl(spiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119793377
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
CID 59909654
CID 59909654
3-azaspiro[5.5]undecan-3-yl(morpholin-2-yl)methanone;hydrochloride
CID 119768999
(4,4-diethylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 55160831
[1-(morpholine-2-carbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119699768

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one (CID 95721558) is 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)[C@@H]3CNCCO3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is MVWFXDPTXYTZGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-20-14-5-3-2-4-13(14)18(17(20)23)6-9-21(10-7-18)16(22)15-12-19-8-11-24-15/h2-5,15,19H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 329.40 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[(2S)-morpholine-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 95721558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).