N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C22H34N2O2 — CID 42168622

IUPACN-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(CC(C)C)CC2
InChIInChI=1S/C22H34N2O2/c1-15(2)14-24-12-10-22(11-13-24)18-9-7-6-8-17(18)19(20(22)26-5)23-21(25)16(3)4/h6-9,15-16,19-20H,10-14H2,1-5H3,(H,23,25)/t19-,20+/m1/s1
InChIKeyIYPSETUSUPLUQW-UXHICEINSA-N
MW358.53 g/mol
LogP3.52
Rot. Bonds5

About N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 42168622) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
PubChem CID42168622
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(CC(C)C)CC2
InChIInChI=1S/C22H34N2O2/c1-15(2)14-24-12-10-22(11-13-24)18-9-7-6-8-17(18)19(20(22)26-5)23-21(25)16(3)4/h6-9,15-16,19-20H,10-14H2,1-5H3,(H,23,25)/t19-,20+/m1/s1
InChIKeyIYPSETUSUPLUQW-UXHICEINSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 42168622) is N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(CC(C)C)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The InChIKey is IYPSETUSUPLUQW-UXHICEINSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)14-24-12-10-22(11-13-24)18-9-7-6-8-17(18)19(20(22)26-5)23-21(25)16(3)4/h6-9,15-16,19-20H,10-14H2,1-5H3,(H,23,25)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-(2-methylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 42168622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).