(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide

C20H21N3O3 — CID 95722580

IUPAC(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H21N3O3/c1-26-17-10-5-4-9-16(17)22-19(25)23-12-6-11-20(13-23)14-7-2-3-8-15(14)21-18(20)24/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,25)/t20-/m1/s1
InChIKeyRBQNOMLXMZDGMM-HXUWFJFHSA-N
MW351.41 g/mol
LogP3.21
Rot. Bonds2

About (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide

(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide (PubChem CID 95722580) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
PubChem CID95722580
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H21N3O3/c1-26-17-10-5-4-9-16(17)22-19(25)23-12-6-11-20(13-23)14-7-2-3-8-15(14)21-18(20)24/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,25)/t20-/m1/s1
InChIKeyRBQNOMLXMZDGMM-HXUWFJFHSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
(3R)-N-(2-methoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104057
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
(3R)-5-methoxy-N-(2-methylphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103847
(3S)-N-(2-fluorophenyl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103837
(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
CID 136675150
(3R)-1'-(2-ethoxyacetyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718964
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide (CID 95722580) is (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide is COc1ccccc1NC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide?
The InChIKey is RBQNOMLXMZDGMM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-17-10-5-4-9-16(17)22-19(25)23-12-6-11-20(13-23)14-7-2-3-8-15(14)21-18(20)24/h2-5,7-10H,6,11-13H2,1H3,(H,21,24)(H,22,25)/t20-/m1/s1.
What are the key properties of (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide?
(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 95722580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).