(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

C17H22ClN3O — CID 97448926

IUPAC(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H22ClN3O/c18-12-3-4-15-13(10-12)17(5-8-19-9-6-17)11-21(15)16(22)14-2-1-7-20-14/h3-4,10,14,19-20H,1-2,5-9,11H2/t14-/m1/s1
InChIKeyBJAPNGKJAIHLEU-CQSZACIVSA-N
MW319.84 g/mol
LogP2.06
Rot. Bonds1

About (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 97448926) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID97448926
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H22ClN3O/c18-12-3-4-15-13(10-12)17(5-8-19-9-6-17)11-21(15)16(22)14-2-1-7-20-14/h3-4,10,14,19-20H,1-2,5-9,11H2/t14-/m1/s1
InChIKeyBJAPNGKJAIHLEU-CQSZACIVSA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 97448926) is (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CC2(CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is BJAPNGKJAIHLEU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN3O/c18-12-3-4-15-13(10-12)17(5-8-19-9-6-17)11-21(15)16(22)14-2-1-7-20-14/h3-4,10,14,19-20H,1-2,5-9,11H2/t14-/m1/s1.
What are the key properties of (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 319.84 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 97448926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).