(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one

C21H19N5O2 — CID 95718659

IUPAC(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(c1ccccc1-c1ncn[nH]1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H19N5O2/c27-19(15-7-2-1-6-14(15)18-22-13-23-25-18)26-11-5-10-21(12-26)16-8-3-4-9-17(16)24-20(21)28/h1-4,6-9,13H,5,10-12H2,(H,24,28)(H,22,23,25)/t21-/m0/s1
InChIKeyYDVPNAFJWXPNDM-NRFANRHFSA-N
MW373.42 g/mol
LogP2.60
Rot. Bonds2

About (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one

(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95718659) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95718659
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C(c1ccccc1-c1ncn[nH]1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H19N5O2/c27-19(15-7-2-1-6-14(15)18-22-13-23-25-18)26-11-5-10-21(12-26)16-8-3-4-9-17(16)24-20(21)28/h1-4,6-9,13H,5,10-12H2,(H,24,28)(H,22,23,25)/t21-/m0/s1
InChIKeyYDVPNAFJWXPNDM-NRFANRHFSA-N
XLogP2.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one with MolForge

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Related Compounds

(3R)-1'-(2-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95712790
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56904113
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3R)-1'-(4-methylsulfonylbenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95716797
[(3S)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97280305
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 56910306
1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 154840539
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 74245727
(3S)-1'-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95719344
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one (CID 95718659) is (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one is O=C(c1ccccc1-c1ncn[nH]1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is YDVPNAFJWXPNDM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-19(15-7-2-1-6-14(15)18-22-13-23-25-18)26-11-5-10-21(12-26)16-8-3-4-9-17(16)24-20(21)28/h1-4,6-9,13H,5,10-12H2,(H,24,28)(H,22,23,25)/t21-/m0/s1.
What are the key properties of (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one?
(3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 373.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[2-(1H-1,2,4-triazol-5-yl)benzoyl]spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95718659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).