1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile

C22H27N3O2 — CID 134078061

IUPAC1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CC2)CC(N2CCOCC2)c2ccccc23)CC1
InChIInChI=1S/C22H27N3O2/c23-16-22(5-6-22)20(26)25-9-7-21(8-10-25)15-19(24-11-13-27-14-12-24)17-3-1-2-4-18(17)21/h1-4,19H,5-15H2
InChIKeyWTZBKFCQDVFPQE-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.63
Rot. Bonds2

About 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile

1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 134078061) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile
PubChem CID134078061
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CC2)CC(N2CCOCC2)c2ccccc23)CC1
InChIInChI=1S/C22H27N3O2/c23-16-22(5-6-22)20(26)25-9-7-21(8-10-25)15-19(24-11-13-27-14-12-24)17-3-1-2-4-18(17)21/h1-4,19H,5-15H2
InChIKeyWTZBKFCQDVFPQE-UHFFFAOYSA-N
XLogP2.63
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile (CID 134078061) is 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCC3(CC2)CC(N2CCOCC2)c2ccccc23)CC1.
What is the InChIKey of 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is WTZBKFCQDVFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-16-22(5-6-22)20(26)25-9-7-21(8-10-25)15-19(24-11-13-27-14-12-24)17-3-1-2-4-18(17)21/h1-4,19H,5-15H2.
What are the key properties of 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile?
1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 365.48 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 134078061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).