[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone

C31H34N2O — CID 54765328

IUPAC[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone
SMILESO=C([C@@H]1CNC[C@]12CCCc1ccccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1
InChIKeyMXPUWFOJTXJTTA-RNWXARPHSA-N
MW450.63 g/mol
LogP5.63
Rot. Bonds3

About [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone

[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone (PubChem CID 54765328) has the molecular formula C31H34N2O and a molecular weight of 450.63 g/mol. Its IUPAC name is [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone
PubChem CID54765328
Molecular FormulaC31H34N2O
Molecular Weight450.63 g/mol
Exact Mass450.27
IUPAC Name[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone
SMILESO=C([C@@H]1CNC[C@]12CCCc1ccccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1
InChIKeyMXPUWFOJTXJTTA-RNWXARPHSA-N
XLogP5.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone?
The IUPAC name of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone (CID 54765328) is [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone.
What is the SMILES notation for [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone?
The canonical SMILES for [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone is O=C([C@@H]1CNC[C@]12CCCc1ccccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone?
The InChIKey is MXPUWFOJTXJTTA-RNWXARPHSA-N. The full InChI is InChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1.
What are the key properties of [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone?
[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone has a molecular weight of 450.63 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone is sourced from PubChem (CID 54765328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).