4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one

C20H21NO — CID 164682376

IUPAC4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one
SMILESO=C1CC(c2ccccc2)CC2(CCc3ccccc3C2)N1
InChIInChI=1S/C20H21NO/c22-19-12-18(15-6-2-1-3-7-15)14-20(21-19)11-10-16-8-4-5-9-17(16)13-20/h1-9,18H,10-14H2,(H,21,22)
InChIKeyAVSWCYYSJRFQNP-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.61
Rot. Bonds1

About 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one

4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one (PubChem CID 164682376) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one.

Molecular Properties

Compound Name4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one
PubChem CID164682376
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one
SMILESO=C1CC(c2ccccc2)CC2(CCc3ccccc3C2)N1
InChIInChI=1S/C20H21NO/c22-19-12-18(15-6-2-1-3-7-15)14-20(21-19)11-10-16-8-4-5-9-17(16)13-20/h1-9,18H,10-14H2,(H,21,22)
InChIKeyAVSWCYYSJRFQNP-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one?
The IUPAC name of 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one (CID 164682376) is 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one.
What is the SMILES notation for 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one?
The canonical SMILES for 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one is O=C1CC(c2ccccc2)CC2(CCc3ccccc3C2)N1.
What is the InChIKey of 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one?
The InChIKey is AVSWCYYSJRFQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-19-12-18(15-6-2-1-3-7-15)14-20(21-19)11-10-16-8-4-5-9-17(16)13-20/h1-9,18H,10-14H2,(H,21,22).
What are the key properties of 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one?
4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one has a molecular weight of 291.39 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-phenylspiro[2,4-dihydro-1H-naphthalene-3,6'-piperidine]-2'-one is sourced from PubChem (CID 164682376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).