1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

C21H28N2O2 — CID 91904586

IUPAC1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)CCC3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-22-18-9-5-4-8-17(18)21(20(22)25)12-14-23(15-13-21)19(24)11-10-16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3
InChIKeyNLNJRRYLWMFSMN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.49
Rot. Bonds3

About 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904586) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904586
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)CCC3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c1-22-18-9-5-4-8-17(18)21(20(22)25)12-14-23(15-13-21)19(24)11-10-16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3
InChIKeyNLNJRRYLWMFSMN-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 91904586) is 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)CCC3CCCC3)CC2)c2ccccc21.
What is the InChIKey of 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is NLNJRRYLWMFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22-18-9-5-4-8-17(18)21(20(22)25)12-14-23(15-13-21)19(24)11-10-16-6-2-3-7-16/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3.
What are the key properties of 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-cyclopentylpropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).