(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one

C13H16N2O — CID 95187712

IUPAC(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@@]2(CCCNC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-15-11-6-3-2-5-10(11)13(12(15)16)7-4-8-14-9-13/h2-3,5-6,14H,4,7-9H2,1H3/t13-/m1/s1
InChIKeyWFVNSFIYTRKAIS-CYBMUJFWSA-N
MW216.28 g/mol
LogP1.28
Rot. Bonds

About (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one

(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 95187712) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID95187712
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@@]2(CCCNC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-15-11-6-3-2-5-10(11)13(12(15)16)7-4-8-14-9-13/h2-3,5-6,14H,4,7-9H2,1H3/t13-/m1/s1
InChIKeyWFVNSFIYTRKAIS-CYBMUJFWSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride
CID 102564309
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
CID 90695133
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
CID 59909654
CID 59909654
1'-methylspiro[cyclohexene-4,3'-indole]-2'-one
CID 12024416
1''-methyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 4267368
CID 164582213
CID 164582213
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500737
(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one
CID 70113018

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 95187712) is (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one is CN1C(=O)[C@@]2(CCCNC2)c2ccccc21.
What is the InChIKey of (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is WFVNSFIYTRKAIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-11-6-3-2-5-10(11)13(12(15)16)7-4-8-14-9-13/h2-3,5-6,14H,4,7-9H2,1H3/t13-/m1/s1.
What are the key properties of (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one?
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95187712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).