[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone

C26H31FN2O — CID 76820018

IUPAC[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1CNCC12CCCc1cc(CF)ccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H31FN2O/c27-16-19-8-9-23-22(15-19)7-4-12-26(23)18-28-17-24(26)25(30)29-13-10-21(11-14-29)20-5-2-1-3-6-20/h1-3,5-6,8-9,15,21,24,28H,4,7,10-14,16-18H2
InChIKeyBMSTYZVHADGPCP-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.36
Rot. Bonds3

About [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone

[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 76820018) has the molecular formula C26H31FN2O and a molecular weight of 406.55 g/mol. Its IUPAC name is [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID76820018
Molecular FormulaC26H31FN2O
Molecular Weight406.55 g/mol
Exact Mass406.24
IUPAC Name[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(C1CNCC12CCCc1cc(CF)ccc12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H31FN2O/c27-16-19-8-9-23-22(15-19)7-4-12-26(23)18-28-17-24(26)25(30)29-13-10-21(11-14-29)20-5-2-1-3-6-20/h1-3,5-6,8-9,15,21,24,28H,4,7,10-14,16-18H2
InChIKeyBMSTYZVHADGPCP-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-aminospiro[1,2-dihydroindene-3,4'-pyrrolidine]-3'-yl)-(4-phenylpiperidin-1-yl)methanone
CID 76819633
(4-phenylpiperidin-1-yl)-[(4S)-spiro[2,3-dihydro-1H-isoquinoline-4,4'-pyrrolidine]-3'-yl]methanone
CID 90004163
[(3'S,8S)-2-chlorospiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
CID 58549231
[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,8S)-2-phenylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone
CID 58549032
(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[2-(2-methylpropyl)-4-phenylpiperidin-1-yl]methanone
CID 76543529
(2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 76819504
(2S,4R)-2-[(3'S,4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-2,4-diphenylpiperidine-1-carbaldehyde
CID 90004620
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-2-methoxyspiro[7,8-dihydro-6H-quinolin-1-ium-5,4'-pyrrolidine]-3'-yl]methanone
CID 123875864
[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(4R)-2-(1H-imidazol-2-yl)-4-phenylpiperidin-1-yl]methanone
CID 58549592
[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,4R)-8-(methylaminomethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone
CID 58549077
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4S)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2R,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]methanone;[(3'S,5R)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone;[(2S,4R)-2-cyclohexyl-4-phenylpiperidin-1-yl]-[(3'S,5R)-spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
CID 160784536

Frequently Asked Questions

What is the IUPAC name of [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone (CID 76820018) is [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(C1CNCC12CCCc1cc(CF)ccc12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is BMSTYZVHADGPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O/c27-16-19-8-9-23-22(15-19)7-4-12-26(23)18-28-17-24(26)25(30)29-13-10-21(11-14-29)20-5-2-1-3-6-20/h1-3,5-6,8-9,15,21,24,28H,4,7,10-14,16-18H2.
What are the key properties of [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone?
[7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 406.55 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(fluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 76820018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).