1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one

C21H20N2O4 — CID 56917233

IUPAC1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(Cc1ccc2c(c1)OCO2)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H20N2O4/c24-19(11-14-6-7-17-18(10-14)27-13-26-17)23-9-3-8-21(12-23)15-4-1-2-5-16(15)22-20(21)25/h1-2,4-7,10H,3,8-9,11-13H2,(H,22,25)
InChIKeyNQTUQDTZKSCXDW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.47
Rot. Bonds2

About 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one

1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 56917233) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID56917233
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(Cc1ccc2c(c1)OCO2)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H20N2O4/c24-19(11-14-6-7-17-18(10-14)27-13-26-17)23-9-3-8-21(12-23)15-4-1-2-5-16(15)22-20(21)25/h1-2,4-7,10H,3,8-9,11-13H2,(H,22,25)
InChIKeyNQTUQDTZKSCXDW-UHFFFAOYSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-[2-(1,3-benzodioxol-5-yl)acetyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95721951
2-(1,3-benzodioxol-5-yl)-1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 72847038
2-(1,3-benzodioxol-5-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 162625550
1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-one
CID 82132978
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853
2-(1,3-benzodioxol-5-yl)-1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]ethanone
CID 95729712
2-(1,3-benzodioxol-5-yl)-1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]ethanone
CID 56884508
(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95716797
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95712790
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one (CID 56917233) is 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one is O=C(Cc1ccc2c(c1)OCO2)N1CCCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is NQTUQDTZKSCXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(11-14-6-7-17-18(10-14)27-13-26-17)23-9-3-8-21(12-23)15-4-1-2-5-16(15)22-20(21)25/h1-2,4-7,10H,3,8-9,11-13H2,(H,22,25).
What are the key properties of 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one?
1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 364.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(1,3-benzodioxol-5-yl)acetyl]spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56917233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).