[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone

C25H30N2O — CID 97199073

IUPAC[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc([C@H]2CCCNC2)c1)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O/c28-24(21-7-3-6-20(17-21)22-8-4-14-26-18-22)27-15-12-25(13-16-27)11-10-19-5-1-2-9-23(19)25/h1-3,5-7,9,17,22,26H,4,8,10-16,18H2/t22-/m0/s1
InChIKeyJCWOGWGVNYEARI-QFIPXVFZSA-N
MW374.53 g/mol
LogP4.27
Rot. Bonds2

About [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone

[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone (PubChem CID 97199073) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
PubChem CID97199073
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1cccc([C@H]2CCCNC2)c1)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C25H30N2O/c28-24(21-7-3-6-20(17-21)22-8-4-14-26-18-22)27-15-12-25(13-16-27)11-10-19-5-1-2-9-23(19)25/h1-3,5-7,9,17,22,26H,4,8,10-16,18H2/t22-/m0/s1
InChIKeyJCWOGWGVNYEARI-QFIPXVFZSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone (CID 97199073) is [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone is O=C(c1cccc([C@H]2CCCNC2)c1)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is JCWOGWGVNYEARI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N2O/c28-24(21-7-3-6-20(17-21)22-8-4-14-26-18-22)27-15-12-25(13-16-27)11-10-19-5-1-2-9-23(19)25/h1-3,5-7,9,17,22,26H,4,8,10-16,18H2/t22-/m0/s1.
What are the key properties of [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone?
[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 374.53 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 97199073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).