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

C22H26N2O3 — CID 95725294

IUPAC(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-23-19-9-4-3-8-18(19)22(21(23)26)11-6-12-24(16-22)15-17-7-2-5-10-20(17)27-14-13-25/h2-5,7-10,25H,6,11-16H2,1H3/t22-/m1/s1
InChIKeyLCGXUYLBDBOIHK-JOCHJYFZSA-N
MW366.46 g/mol
LogP2.57
Rot. Bonds5

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

(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 95725294) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
PubChem CID95725294
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
SMILESCN1C(=O)[C@@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-23-19-9-4-3-8-18(19)22(21(23)26)11-6-12-24(16-22)15-17-7-2-5-10-20(17)27-14-13-25/h2-5,7-10,25H,6,11-16H2,1H3/t22-/m1/s1
InChIKeyLCGXUYLBDBOIHK-JOCHJYFZSA-N
XLogP2.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]benzonitrile
CID 95711129
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
(3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95891655
1'-(1H-imidazol-2-ylmethyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 56884127
(3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97146753
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 97148098
2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 26404101
ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
CID 95710662
1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
CID 56885365
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
1-methyl-1'-(2-methyl-2-morpholin-4-ylpropyl)spiro[indole-3,3'-piperidine]-2-one
CID 56895106
N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
CID 134795564

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one (CID 95725294) is (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one is CN1C(=O)[C@@]2(CCCN(Cc3ccccc3OCCO)C2)c2ccccc21.
What is the InChIKey of (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is LCGXUYLBDBOIHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23-19-9-4-3-8-18(19)22(21(23)26)11-6-12-24(16-22)15-17-7-2-5-10-20(17)27-14-13-25/h2-5,7-10,25H,6,11-16H2,1H3/t22-/m1/s1.
What are the key properties of (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one?
(3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95725294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).