(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one

C16H22N2O — CID 70113018

IUPAC(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)[C@]21CCCNC1
InChIInChI=1S/C16H22N2O/c1-11(2)18-14-9-12(3)5-6-13(14)16(15(18)19)7-4-8-17-10-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3/t16-/m0/s1
InChIKeyPLKZWPOEFQLKAO-INIZCTEOSA-N
MW258.36 g/mol
LogP2.37
Rot. Bonds1

About (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one

(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one (PubChem CID 70113018) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one
PubChem CID70113018
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one
SMILESCc1ccc2c(c1)N(C(C)C)C(=O)[C@]21CCCNC1
InChIInChI=1S/C16H22N2O/c1-11(2)18-14-9-12(3)5-6-13(14)16(15(18)19)7-4-8-17-10-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3/t16-/m0/s1
InChIKeyPLKZWPOEFQLKAO-INIZCTEOSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one (CID 70113018) is (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one is Cc1ccc2c(c1)N(C(C)C)C(=O)[C@]21CCCNC1.
What is the InChIKey of (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one?
The InChIKey is PLKZWPOEFQLKAO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)18-14-9-12(3)5-6-13(14)16(15(18)19)7-4-8-17-10-16/h5-6,9,11,17H,4,7-8,10H2,1-3H3/t16-/m0/s1.
What are the key properties of (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one?
(3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methyl-1-propan-2-ylspiro[indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 70113018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).